 Entering Gaussian System, Link 0=g16
 Input=10_L-serine_conformer05_STD_LCPBE_augccpVDZ.in
 Output=10_L-serine_conformer05_STD_LCPBE_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/Tuned_LCPBE/Gau-102559.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/Tuned_LCPBE/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    102570.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                16-Aug-2021 
 ******************************************
 %NoSave
 %NProc=8
 Will use up to    8 processors via shared memory.
 %Mem=42GB
 %chk=10_L-serine_conformer05_STD_LCPBE_augccpVDZ
 ----------------------------------------------------------------------
 #P LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=200,Tight) 
 Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=036000000
 0,3/108=0360000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/131=-1
 )
 ----------------------------------------------------------------------
 1/29=2,33=1,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=1001009,75=-5,107=360000000,108=360000000,116=-2,119=1000000000,120=1000000000,130=-1,131=-1/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=200,32=2,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Mon Aug 16 21:17:41 2021, MaxMem=  5637144576 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 ONIOM results not found on unit 2.
 -----------------
 ROA calculations.
 -----------------
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 Structure from the checkpoint file:  "10_L-serine_conformer05_STD_LCPBE_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.143775000000     -0.674095000000     -0.437636000000
  C                                                -0.192819000000      0.114958000000      0.470853000000
  C                                                 1.243923000000     -0.263455000000      0.087563000000
  O                                                 1.874804000000      0.673356000000     -0.628783000000
  O                                                -2.504247000000     -0.351006000000     -0.184987000000
  N                                                -0.416115000000      1.547904000000      0.283938000000
  O                                                 1.734731000000     -1.321804000000      0.371413000000
  H                                                -0.341797000000     -0.217774000000      1.503620000000
  H                                                -0.962424000000     -0.398578000000     -1.477959000000
  H                                                -0.944875000000     -1.741017000000     -0.322569000000
  H                                                 1.241903000000      1.425342000000     -0.687718000000
  H                                                -1.387261000000      1.719755000000      0.048304000000
  H                                                -0.202584000000      2.074274000000      1.121954000000
  H                                                -2.776443000000     -0.766154000000      0.640980000000
 Recover connectivity data from disk.
 After GenITR:
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     14 NQM=       14 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          16          16          14          16           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  15.9949146  15.9949146  14.0030740  15.9949146   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           2           0           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   5.6000000   5.6000000   4.5500000   5.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   8.0000000   8.0000000   7.0000000   8.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14
 IAtWgt=           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000
 No MM parameters found.
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Mon Aug 16 21:17:42 2021, MaxMem=  5637144576 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.143775   -0.674095   -0.437636
      2          6           0       -0.192819    0.114958    0.470853
      3          6           0        1.243923   -0.263455    0.087563
      4          8           0        1.874804    0.673356   -0.628783
      5          8           0       -2.504247   -0.351006   -0.184987
      6          7           0       -0.416115    1.547904    0.283938
      7          8           0        1.734731   -1.321804    0.371413
      8          1           0       -0.341797   -0.217774    1.503620
      9          1           0       -0.962424   -0.398578   -1.477959
     10          1           0       -0.944875   -1.741017   -0.322569
     11          1           0        1.241903    1.425342   -0.687718
     12          1           0       -1.387261    1.719755    0.048304
     13          1           0       -0.202584    2.074274    1.121954
     14          1           0       -2.776443   -0.766154    0.640980
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.533713   0.000000
     3  C    2.479024   1.534384   0.000000
     4  O    3.311190   2.407503   1.337452   0.000000
     5  O    1.420951   2.447437   3.759086   4.519111   0.000000
     6  N    2.446924   1.462235   2.464815   2.616525   2.861127
     7  O    3.059393   2.406163   1.200652   2.236219   4.384172
     8  H    2.149389   1.095223   2.126455   3.202277   2.746877
     9  H    1.091361   2.157285   2.708705   3.149604   2.012774
    10  H    1.091386   2.154008   2.672496   3.724722   2.093490
    11  H    3.187732   2.262260   1.858252   0.984642   4.176337
    12  H    2.454779   2.044655   3.295116   3.492058   2.364346
    13  H    3.297225   2.064691   2.937231   3.056664   3.589949
    14  H    1.958952   2.735035   4.089293   5.031758   0.963670
                    6          7          8          9         10
     6  N    0.000000
     7  O    3.587341   0.000000
     8  H    2.147269   2.610123   0.000000
     9  H    2.681702   3.398112   3.050849   0.000000
    10  H    3.385918   2.799578   2.453353   1.771264   0.000000
    11  H    1.925658   2.985205   3.163842   2.968202   3.865380
    12  H    1.013992   4.370619   2.639121   2.645241   3.508589
    13  H    1.012389   3.981187   2.327774   3.667683   4.146575
    14  H    3.324679   4.553252   2.640524   2.813482   2.287668
                   11         12         13         14
    11  H    0.000000
    12  H    2.746072   0.000000
    13  H    2.404697   1.637641   0.000000
    14  H    4.766046   2.908751   3.863175   0.000000
 Stoichiometry    C3H7NO3
 Framework group  C1[X(C3H7NO3)]
 Deg. of freedom    36
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 4.91D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.143775   -0.674095   -0.437636
      2          6           0       -0.192819    0.114958    0.470853
      3          6           0        1.243923   -0.263455    0.087563
      4          8           0        1.874804    0.673356   -0.628783
      5          8           0       -2.504247   -0.351006   -0.184987
      6          7           0       -0.416115    1.547904    0.283938
      7          8           0        1.734731   -1.321804    0.371413
      8          1           0       -0.341797   -0.217774    1.503620
      9          1           0       -0.962424   -0.398578   -1.477959
     10          1           0       -0.944875   -1.741017   -0.322569
     11          1           0        1.241903    1.425342   -0.687718
     12          1           0       -1.387261    1.719755    0.048304
     13          1           0       -0.202584    2.074274    1.121954
     14          1           0       -2.776443   -0.766154    0.640980
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           4.5014835           1.8258175           1.4640838
 Leave Link  202 at Mon Aug 16 21:17:42 2021, MaxMem=  5637144576 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8      9     10     11     12     13     14
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       6
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients=  7.0000000000D-04
     Exponent=  1.3570000000D+03 Coefficients=  5.3890000000D-03
     Exponent=  3.0930000000D+02 Coefficients=  2.7406000000D-02
     Exponent=  8.7730000000D+01 Coefficients=  1.0320700000D-01
     Exponent=  2.8560000000D+01 Coefficients=  2.7872300000D-01
     Exponent=  1.0210000000D+01 Coefficients=  4.4854000000D-01
     Exponent=  3.8380000000D+00 Coefficients=  2.7823800000D-01
     Exponent=  7.4660000000D-01 Coefficients=  1.5440000000D-02
     Exponent=  2.2480000000D-01 Coefficients= -2.8640000000D-03
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients= -1.5300000000D-04
     Exponent=  1.3570000000D+03 Coefficients= -1.2080000000D-03
     Exponent=  3.0930000000D+02 Coefficients= -5.9920000000D-03
     Exponent=  8.7730000000D+01 Coefficients= -2.4544000000D-02
     Exponent=  2.8560000000D+01 Coefficients= -6.7459000000D-02
     Exponent=  1.0210000000D+01 Coefficients= -1.5807800000D-01
     Exponent=  3.8380000000D+00 Coefficients= -1.2183100000D-01
     Exponent=  7.4660000000D-01 Coefficients=  5.4900300000D-01
     Exponent=  2.2480000000D-01 Coefficients=  5.7881500000D-01
 S 1 1.00
     Exponent=  2.2480000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.1240000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.3550000000D+01 Coefficients=  3.9919000000D-02
     Exponent=  2.9170000000D+00 Coefficients=  2.1716900000D-01
     Exponent=  7.9730000000D-01 Coefficients=  5.1031900000D-01
     Exponent=  2.1850000000D-01 Coefficients=  4.6221400000D-01
 P 1 1.00
     Exponent=  2.1850000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  5.6110000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.1700000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.3000000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       4      5      7
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  21 primitive shells out of 252 were deleted.
 There are   238 symmetry adapted cartesian basis functions of A   symmetry.
 There are   224 symmetry adapted basis functions of A   symmetry.
   224 basis functions,   413 primitive gaussians,   238 cartesian basis functions
    28 alpha electrons       28 beta electrons
       nuclear repulsion energy       323.3201492639 Hartrees.
 IExCor=11009 DFT=T Ex=LC-PBE+HF Corr=PBE ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.360000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 DFx  wShort=  0.000000 wLong=  0.360000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   14 NActive=   14 NUniq=   14 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Mon Aug 16 21:17:43 2021, MaxMem=  5637144576 cpu:              10.9 elap:               1.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   224 RedAO= T EigKep=  1.79D-05  NBF=   224
 NBsUse=   224 1.00D-06 EigRej= -1.00D+00 NBFU=   224
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   238   238   238   238   238 MxSgAt=    14 MxSgA2=    14.
 Leave Link  302 at Mon Aug 16 21:17:44 2021, MaxMem=  5637144576 cpu:               1.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Mon Aug 16 21:17:44 2021, MaxMem=  5637144576 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "10_L-serine_conformer05_STD_LCPBE_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Aug 16 21:17:44 2021, MaxMem=  5637144576 cpu:               1.5 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5637027028 LenY=  5636969943
 Requested convergence on RMS density matrix=1.00D-08 within 200 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -397.923003212383    
 DIIS: error= 2.51D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -397.923003212383     IErMin= 1 ErrMin= 2.51D-03
 ErrMax= 2.51D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.07D-02 BMatP= 1.07D-02
 IDIUse=3 WtCom= 9.75D-01 WtEn= 2.51D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.458 Goal=   None    Shift=    0.000
 GapD=    0.458 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=6.83D-03 MaxDP=2.41D-01              OVMax= 1.74D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  6.77D-03    CP:  9.66D-01
 E= -397.932049209426     Delta-E=       -0.009045997043 Rises=F Damp=F
 DIIS: error= 1.35D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -397.932049209426     IErMin= 2 ErrMin= 1.35D-03
 ErrMax= 1.35D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.56D-03 BMatP= 1.07D-02
 IDIUse=3 WtCom= 9.87D-01 WtEn= 1.35D-02
 Coeff-Com:  0.156D+00 0.844D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.154D+00 0.846D+00
 Gap=     0.402 Goal=   None    Shift=    0.000
 RMSDP=9.47D-04 MaxDP=3.76D-02 DE=-9.05D-03 OVMax= 1.03D-02

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  6.16D-04    CP:  9.61D-01  1.10D+00
 E= -397.932598692500     Delta-E=       -0.000549483075 Rises=F Damp=F
 DIIS: error= 1.13D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -397.932598692500     IErMin= 3 ErrMin= 1.13D-03
 ErrMax= 1.13D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.07D-03 BMatP= 1.56D-03
 IDIUse=3 WtCom= 9.89D-01 WtEn= 1.13D-02
 Coeff-Com: -0.449D-01 0.454D+00 0.590D+00
 Coeff-En:   0.000D+00 0.342D+00 0.658D+00
 Coeff:     -0.444D-01 0.453D+00 0.591D+00
 Gap=     0.398 Goal=   None    Shift=    0.000
 RMSDP=3.82D-04 MaxDP=1.51D-02 DE=-5.49D-04 OVMax= 4.84D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.34D-04    CP:  9.60D-01  1.15D+00  1.03D+00
 E= -397.933351758443     Delta-E=       -0.000753065943 Rises=F Damp=F
 DIIS: error= 1.22D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -397.933351758443     IErMin= 4 ErrMin= 1.22D-04
 ErrMax= 1.22D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.42D-05 BMatP= 1.07D-03
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.22D-03
 Coeff-Com: -0.153D-01 0.705D-01 0.139D+00 0.806D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.153D-01 0.704D-01 0.139D+00 0.806D+00
 Gap=     0.398 Goal=   None    Shift=    0.000
 RMSDP=1.01D-04 MaxDP=5.05D-03 DE=-7.53D-04 OVMax= 1.21D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  4.89D-05    CP:  9.59D-01  1.16D+00  1.14D+00  1.12D+00
 E= -397.933364670449     Delta-E=       -0.000012912006 Rises=F Damp=F
 DIIS: error= 8.31D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -397.933364670449     IErMin= 5 ErrMin= 8.31D-05
 ErrMax= 8.31D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.31D-06 BMatP= 1.42D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.114D-02-0.512D-01-0.420D-01 0.425D+00 0.667D+00
 Coeff:      0.114D-02-0.512D-01-0.420D-01 0.425D+00 0.667D+00
 Gap=     0.398 Goal=   None    Shift=    0.000
 RMSDP=4.48D-05 MaxDP=2.29D-03 DE=-1.29D-05 OVMax= 7.81D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.09D-05    CP:  9.59D-01  1.16D+00  1.18D+00  1.20D+00  1.09D+00
 E= -397.933370247010     Delta-E=       -0.000005576562 Rises=F Damp=F
 DIIS: error= 1.71D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -397.933370247010     IErMin= 6 ErrMin= 1.71D-05
 ErrMax= 1.71D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.69D-07 BMatP= 6.31D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.210D-02-0.261D-01-0.304D-01 0.801D-01 0.254D+00 0.720D+00
 Coeff:      0.210D-02-0.261D-01-0.304D-01 0.801D-01 0.254D+00 0.720D+00
 Gap=     0.398 Goal=   None    Shift=    0.000
 RMSDP=9.89D-06 MaxDP=5.05D-04 DE=-5.58D-06 OVMax= 1.82D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  5.96D-06    CP:  9.58D-01  1.16D+00  1.18D+00  1.22D+00  1.16D+00
                    CP:  1.15D+00
 E= -397.933370657036     Delta-E=       -0.000000410026 Rises=F Damp=F
 DIIS: error= 4.65D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -397.933370657036     IErMin= 7 ErrMin= 4.65D-06
 ErrMax= 4.65D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.60D-08 BMatP= 3.69D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.310D-03 0.340D-03-0.176D-02-0.348D-01-0.196D-01 0.175D+00
 Coeff-Com:  0.881D+00
 Coeff:      0.310D-03 0.340D-03-0.176D-02-0.348D-01-0.196D-01 0.175D+00
 Coeff:      0.881D+00
 Gap=     0.398 Goal=   None    Shift=    0.000
 RMSDP=3.22D-06 MaxDP=1.04D-04 DE=-4.10D-07 OVMax= 7.79D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.09D-06    CP:  9.58D-01  1.16D+00  1.18D+00  1.22D+00  1.19D+00
                    CP:  1.22D+00  1.08D+00
 E= -397.933370701761     Delta-E=       -0.000000044725 Rises=F Damp=F
 DIIS: error= 1.90D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -397.933370701761     IErMin= 8 ErrMin= 1.90D-06
 ErrMax= 1.90D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.40D-09 BMatP= 2.60D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.113D-03 0.269D-02 0.255D-02-0.193D-01-0.311D-01-0.152D-01
 Coeff-Com:  0.283D+00 0.778D+00
 Coeff:     -0.113D-03 0.269D-02 0.255D-02-0.193D-01-0.311D-01-0.152D-01
 Coeff:      0.283D+00 0.778D+00
 Gap=     0.398 Goal=   None    Shift=    0.000
 RMSDP=1.03D-06 MaxDP=2.80D-05 DE=-4.47D-08 OVMax= 2.44D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  6.61D-07    CP:  9.58D-01  1.16D+00  1.18D+00  1.22D+00  1.19D+00
                    CP:  1.24D+00  1.13D+00  1.18D+00
 E= -397.933370706587     Delta-E=       -0.000000004826 Rises=F Damp=F
 DIIS: error= 6.41D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -397.933370706587     IErMin= 9 ErrMin= 6.41D-07
 ErrMax= 6.41D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.25D-10 BMatP= 3.40D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.570D-04 0.716D-03 0.910D-03-0.223D-02-0.699D-02-0.244D-01
 Coeff-Com: -0.996D-02 0.223D+00 0.819D+00
 Coeff:     -0.570D-04 0.716D-03 0.910D-03-0.223D-02-0.699D-02-0.244D-01
 Coeff:     -0.996D-02 0.223D+00 0.819D+00
 Gap=     0.398 Goal=   None    Shift=    0.000
 RMSDP=3.83D-07 MaxDP=1.72D-05 DE=-4.83D-09 OVMax= 1.08D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.70D-07    CP:  9.58D-01  1.16D+00  1.18D+00  1.22D+00  1.19D+00
                    CP:  1.24D+00  1.14D+00  1.29D+00  1.12D+00
 E= -397.933370707145     Delta-E=       -0.000000000558 Rises=F Damp=F
 DIIS: error= 1.58D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -397.933370707145     IErMin=10 ErrMin= 1.58D-07
 ErrMax= 1.58D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.77D-11 BMatP= 3.25D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.252D-05-0.186D-03-0.123D-03 0.190D-02 0.263D-02-0.326D-02
 Coeff-Com: -0.324D-01-0.483D-01 0.145D+00 0.935D+00
 Coeff:      0.252D-05-0.186D-03-0.123D-03 0.190D-02 0.263D-02-0.326D-02
 Coeff:     -0.324D-01-0.483D-01 0.145D+00 0.935D+00
 Gap=     0.398 Goal=   None    Shift=    0.000
 RMSDP=1.35D-07 MaxDP=4.95D-06 DE=-5.58D-10 OVMax= 4.96D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  8.61D-08    CP:  9.58D-01  1.16D+00  1.18D+00  1.22D+00  1.19D+00
                    CP:  1.24D+00  1.14D+00  1.31D+00  1.19D+00  1.15D+00
 E= -397.933370707216     Delta-E=       -0.000000000070 Rises=F Damp=F
 DIIS: error= 6.88D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -397.933370707216     IErMin=11 ErrMin= 6.88D-08
 ErrMax= 6.88D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.23D-12 BMatP= 2.77D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.448D-05-0.101D-03-0.102D-03 0.646D-03 0.124D-02 0.991D-03
 Coeff-Com: -0.702D-02-0.301D-01-0.341D-01 0.209D+00 0.859D+00
 Coeff:      0.448D-05-0.101D-03-0.102D-03 0.646D-03 0.124D-02 0.991D-03
 Coeff:     -0.702D-02-0.301D-01-0.341D-01 0.209D+00 0.859D+00
 Gap=     0.398 Goal=   None    Shift=    0.000
 RMSDP=3.11D-08 MaxDP=1.22D-06 DE=-7.01D-11 OVMax= 1.88D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  2.19D-08    CP:  9.58D-01  1.16D+00  1.18D+00  1.22D+00  1.19D+00
                    CP:  1.24D+00  1.14D+00  1.32D+00  1.20D+00  1.24D+00
                    CP:  1.15D+00
 E= -397.933370707201     Delta-E=        0.000000000014 Rises=F Damp=F
 DIIS: error= 2.64D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -397.933370707216     IErMin=12 ErrMin= 2.64D-08
 ErrMax= 2.64D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.30D-13 BMatP= 3.23D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.139D-05-0.126D-05-0.148D-04-0.127D-03-0.522D-04 0.815D-03
 Coeff-Com:  0.322D-02-0.456D-03-0.318D-01-0.924D-01 0.236D+00 0.885D+00
 Coeff:      0.139D-05-0.126D-05-0.148D-04-0.127D-03-0.522D-04 0.815D-03
 Coeff:      0.322D-02-0.456D-03-0.318D-01-0.924D-01 0.236D+00 0.885D+00
 Gap=     0.398 Goal=   None    Shift=    0.000
 RMSDP=1.68D-08 MaxDP=8.60D-07 DE= 1.44D-11 OVMax= 1.04D-06

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  9.06D-09    CP:  9.58D-01  1.16D+00  1.18D+00  1.22D+00  1.19D+00
                    CP:  1.24D+00  1.14D+00  1.31D+00  1.20D+00  1.26D+00
                    CP:  1.26D+00  1.26D+00
 E= -397.933370707219     Delta-E=       -0.000000000018 Rises=F Damp=F
 DIIS: error= 1.25D-08 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=13 EnMin= -397.933370707219     IErMin=13 ErrMin= 1.25D-08
 ErrMax= 1.25D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.21D-13 BMatP= 6.30D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.206D-06 0.147D-04 0.103D-04-0.137D-03-0.196D-03 0.140D-03
 Coeff-Com:  0.210D-02 0.430D-02-0.571D-02-0.614D-01-0.527D-01 0.293D+00
 Coeff-Com:  0.821D+00
 Coeff:     -0.206D-06 0.147D-04 0.103D-04-0.137D-03-0.196D-03 0.140D-03
 Coeff:      0.210D-02 0.430D-02-0.571D-02-0.614D-01-0.527D-01 0.293D+00
 Coeff:      0.821D+00
 Gap=     0.398 Goal=   None    Shift=    0.000
 RMSDP=6.93D-09 MaxDP=2.97D-07 DE=-1.78D-11 OVMax= 4.43D-07

 SCF Done:  E(RLC-PBE+HF-PBE) =  -397.933370707     A.U. after   13 cycles
            NFock= 13  Conv=0.69D-08     -V/T= 2.0052
 KE= 3.958753075377D+02 PE=-1.580893148648D+03 EE= 4.637643211389D+02
 Leave Link  502 at Mon Aug 16 21:18:38 2021, MaxMem=  5637144576 cpu:             432.4 elap:              54.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   224
 NBasis=   224 NAE=    28 NBE=    28 NFC=     0 NFV=     0
 NROrb=    224 NOA=    28 NOB=    28 NVA=   196 NVB=   196

 **** Warning!!: The largest alpha MO coefficient is  0.48378030D+02

 Leave Link  801 at Mon Aug 16 21:18:39 2021, MaxMem=  5637144576 cpu:               0.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         4327 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          14
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 9.15D-14 8.33D-09 XBig12= 1.00D+00 2.77D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 9.15D-14 8.33D-09 XBig12= 1.79D-01 6.58D-02.
     11 vectors produced by pass  2 Test12= 9.15D-14 8.33D-09 XBig12= 2.47D-02 3.91D-02.
     11 vectors produced by pass  3 Test12= 9.15D-14 8.33D-09 XBig12= 1.83D-03 9.06D-03.
     11 vectors produced by pass  4 Test12= 9.15D-14 8.33D-09 XBig12= 7.82D-05 1.75D-03.
     11 vectors produced by pass  5 Test12= 9.15D-14 8.33D-09 XBig12= 2.28D-06 2.35D-04.
     11 vectors produced by pass  6 Test12= 9.15D-14 8.33D-09 XBig12= 7.67D-08 3.55D-05.
     11 vectors produced by pass  7 Test12= 9.15D-14 8.33D-09 XBig12= 1.87D-09 6.01D-06.
     11 vectors produced by pass  8 Test12= 9.15D-14 8.33D-09 XBig12= 4.07D-11 1.11D-06.
     10 vectors produced by pass  9 Test12= 9.15D-14 8.33D-09 XBig12= 6.68D-13 1.00D-07.
      2 vectors produced by pass 10 Test12= 9.15D-14 8.33D-09 XBig12= 9.93D-15 1.19D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.42D-14
 Solved reduced A of dimension   111 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.654410D+02
      2 -0.175961D+01  0.626677D+02
      3 -0.211113D+01 -0.273828D+01  0.513099D+02
 Isotropic polarizability for W=    0.088559       59.81 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.300818D+02 -0.134994D+02 -0.842078D+01
      2   0.190369D+02  0.102585D+02  0.417492D+01
      3   0.110449D+02  0.324085D+01  0.424586D+01
      4  -0.104984D+02  0.780411D+01 -0.156732D+02
      5  -0.116763D+01 -0.165623D+02 -0.165788D+02
      6  -0.693296D+01  0.971902D+01  0.566537D+01
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.272289D+01  0.779502D+00 -0.106872D+01
      2  -0.223323D+01 -0.578109D+01 -0.102092D+02
      3   0.666200D+01 -0.206247D+01  0.376843D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.889080D+00  0.554410D+01 -0.242452D+01
      2  -0.725315D+01 -0.874023D+01 -0.276236D+02
      3   0.300097D+01  0.112328D+02  0.962931D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.122860D+01  0.149801D+00 -0.132626D+01
      2   0.149801D+00  0.106060D+01  0.101906D+01
      3  -0.132626D+01  0.101906D+01  0.878225D+00
 OR G Eigenvalues:    -1.9865     0.4931     2.2036  Iso=    -0.2367
 Eigenvectors:
   (1)   0.860349  -0.199201   0.469167
   (2)   0.439681   0.755669  -0.485433
   (3)  -0.257836   0.623926   0.737724
 w=    0.088559 a.u., Optical Rotation Beta=     -0.2367 au.
 Molar Mass =    105.0932 grams/mole, [Alpha] ( 5145.0 A) =     -114.23 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   25200 ScalPx= 8.12D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   25200 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 4.04D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.52D-14 2.78D-09 XBig12= 1.00D+00 3.42D-01.
     30 vectors produced by pass  1 Test12= 1.52D-14 2.78D-09 XBig12= 2.92D-02 5.45D-02.
     30 vectors produced by pass  2 Test12= 1.52D-14 2.78D-09 XBig12= 8.95D-04 5.64D-03.
     30 vectors produced by pass  3 Test12= 1.52D-14 2.78D-09 XBig12= 1.07D-05 5.73D-04.
     30 vectors produced by pass  4 Test12= 1.52D-14 2.78D-09 XBig12= 1.41D-07 5.09D-05.
     30 vectors produced by pass  5 Test12= 1.52D-14 2.78D-09 XBig12= 1.37D-09 3.73D-06.
     30 vectors produced by pass  6 Test12= 1.52D-14 2.78D-09 XBig12= 1.10D-11 3.06D-07.
     30 vectors produced by pass  7 Test12= 1.52D-14 2.78D-09 XBig12= 7.30D-14 2.49D-08.
      1 vectors produced by pass  8 Test12= 1.52D-14 2.78D-09 XBig12= 5.85D-16 2.81D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-15
 Solved reduced A of dimension   241 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   25200 ScalPx= 2.03D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   25200 ScalPx= 2.03D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   25200 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.85D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.654410D+02 -0.175961D+01 -0.211113D+01
      2  -0.175961D+01  0.626677D+02 -0.273828D+01
      3  -0.211113D+01 -0.273828D+01  0.513099D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.272289D+01  0.779502D+00 -0.106872D+01
      2  -0.223323D+01 -0.578109D+01 -0.102092D+02
      3   0.666200D+01 -0.206247D+01  0.376843D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.300818D+02 -0.134994D+02 -0.842078D+01
      2   0.190369D+02  0.102585D+02  0.417492D+01
      3   0.110449D+02  0.324085D+01  0.424586D+01
      4  -0.104984D+02  0.780411D+01 -0.156732D+02
      5  -0.116763D+01 -0.165623D+02 -0.165788D+02
      6  -0.693296D+01  0.971902D+01  0.566537D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.120825D+01 -0.108646D+01 -0.741987D+00 -0.327978D+01 -0.193959D+01
      2  -0.108646D+01 -0.235068D+01 -0.451021D+00 -0.193959D+01  0.473307D+01
      3  -0.741987D+00 -0.451021D+00 -0.209758D+01 -0.637536D+00 -0.260620D+00
                 6             7             8             9            10 
      1  -0.637536D+00 -0.283914D+01 -0.460930D+00 -0.172170D+01  0.404627D+00
      2  -0.260620D+00 -0.460930D+00 -0.105837D+01 -0.132466D+01  0.165764D+01
      3  -0.180099D+01 -0.172170D+01 -0.132466D+01  0.548145D+01  0.171877D+01
                11            12            13            14            15 
      1   0.165764D+01  0.171877D+01  0.280317D+01  0.125360D+01  0.374016D+00
      2   0.148491D+01  0.138342D+00  0.125360D+01 -0.217683D+01 -0.619601D+00
      3   0.138342D+00  0.111277D+01  0.374016D+00 -0.619601D+00  0.231500D+01
                16            17            18            19            20 
      1   0.268997D+01 -0.152516D+00  0.160866D+01  0.872862D+00 -0.755046D-01
      2  -0.152516D+00 -0.271805D+00  0.312002D+01 -0.755046D-01 -0.199863D+01
      3   0.160866D+01  0.312002D+01 -0.550619D+01 -0.106353D+01  0.127111D+01
                21            22            23            24            25 
      1  -0.106353D+01  0.206663D+01 -0.283279D+01  0.130433D+01  0.153399D-01
      2   0.127111D+01 -0.283279D+01  0.441024D+01 -0.721166D+00  0.178236D+01
      3  -0.189071D-01  0.130433D+01 -0.721166D+00  0.130967D+00 -0.295028D+00
                26            27            28            29            30 
      1   0.178236D+01 -0.295028D+00  0.621281D+01  0.100512D+01 -0.210620D+01
      2  -0.671027D+00 -0.430789D+00  0.100512D+01  0.298676D+01 -0.534604D+00
      3  -0.430789D+00  0.638926D+00 -0.210620D+01 -0.534604D+00  0.146591D+01
                31            32            33            34            35 
      1  -0.154426D+01  0.346081D+01  0.393304D+00 -0.170177D+01 -0.900916D+00
      2   0.346081D+01  0.394888D+00 -0.664300D+00 -0.900916D+00 -0.387400D+00
      3   0.393304D+00 -0.664300D+00  0.180910D+00  0.150921D+01  0.136048D+01
                36            37            38            39            40 
      1   0.150921D+01 -0.679977D+01  0.382909D+00 -0.155582D+01  0.245387D+01
      2   0.136048D+01  0.382909D+00 -0.164185D+00 -0.410995D+00 -0.619898D+00
      3  -0.282551D+01 -0.155582D+01 -0.410995D+00  0.942998D+00 -0.614197D+00
                41            42            43            44            45 
      1  -0.619898D+00 -0.614197D+00 -0.289084D+01 -0.680349D+00  0.423545D+00
      2   0.849051D+00 -0.602260D+00 -0.680349D+00 -0.122277D+01  0.127875D+01
      3  -0.602260D+00  0.188934D+01  0.423545D+00  0.127875D+01 -0.376600D+01
                46            47            48            49            50 
      1   0.396581D+01 -0.494180D+00 -0.202975D-01 -0.347928D+00 -0.349195D+00
      2  -0.494180D+00  0.413490D+00 -0.252125D-01 -0.349195D+00  0.306504D+01
      3  -0.202975D-01 -0.252125D-01 -0.101477D+01 -0.417368D+00 -0.123646D+01
                51            52            53            54            55 
      1  -0.417368D+00 -0.757315D-01 -0.372845D+00 -0.109869D+01  0.478262D+01
      2  -0.123646D+01 -0.372845D+00 -0.300152D+01 -0.188161D+01 -0.385127D+01
      3  -0.179369D+01 -0.109869D+01 -0.188161D+01 -0.210377D+01  0.142288D+01
                56            57            58            59            60 
      1  -0.385127D+01  0.142288D+01 -0.518744D+01  0.365388D+01 -0.661095D+00
      2   0.332804D+01 -0.104751D+01  0.365388D+01 -0.107141D+02  0.169416D+01
      3  -0.104751D+01  0.107869D+01 -0.661095D+00  0.169416D+01 -0.235202D+01
                61            62            63            64            65 
      1   0.123200D+01 -0.730456D+00  0.191969D+01 -0.522761D+00 -0.692379D+00
      2  -0.730456D+00  0.120870D+01 -0.284754D+01 -0.692379D+00 -0.561538D+00
      3   0.191969D+01 -0.284754D+01  0.215222D+01  0.103994D+01  0.655523D-01
                66            67            68            69            70 
      1   0.103994D+01 -0.122048D+01 -0.585464D+00  0.190879D+00  0.131134D+01
      2   0.655523D-01 -0.585464D+00 -0.118044D+01  0.158414D+01  0.192805D+00
      3  -0.103992D+01  0.190879D+00  0.158414D+01 -0.194726D+01 -0.838932D+00
                71            72            73            74            75 
      1   0.192805D+00 -0.838932D+00  0.503186D-01  0.350466D+00 -0.881630D+00
      2   0.228840D+01 -0.188522D+01  0.350466D+00  0.327700D+00  0.110580D+00
      3  -0.188522D+01  0.757736D+01 -0.881630D+00  0.110580D+00  0.981969D+00
                76            77            78            79            80 
      1   0.118791D+01  0.364133D+00  0.996424D-01 -0.152849D+01 -0.100461D+00
      2   0.364133D+00  0.161576D+00 -0.933614D+00 -0.100461D+00 -0.126359D+01
      3   0.996424D-01 -0.933614D+00  0.158908D+01  0.161962D+00  0.159488D+00
                81            82            83            84            85 
      1   0.161962D+00  0.695784D+00 -0.956460D+00  0.138907D+00 -0.154417D+01
      2   0.159488D+00 -0.956460D+00  0.953772D+00  0.223545D+00  0.498523D+00
      3  -0.756748D+01  0.138907D+00  0.223545D+00  0.425869D+00  0.601996D-01
                86            87            88            89            90 
      1   0.498523D+00  0.601996D-01  0.847832D+00  0.101026D+00  0.281830D+00
      2  -0.772937D+01 -0.560054D+00  0.101026D+00  0.515201D+00 -0.858885D+00
      3  -0.560054D+00 -0.102286D+01  0.281830D+00 -0.858885D+00 -0.402553D+00
                91            92            93            94            95 
      1  -0.273490D+01  0.168402D+01  0.945589D+00  0.355334D+01 -0.530471D+00
      2   0.168402D+01 -0.126127D+01 -0.732408D-03 -0.530471D+00  0.400328D+01
      3   0.945589D+00 -0.732408D-03 -0.380899D+00 -0.968008D+00 -0.885462D+00
                96            97            98            99           100 
      1  -0.968008D+00  0.119606D+00 -0.129561D+00  0.233564D+00 -0.611117D+01
      2  -0.885462D+00 -0.129561D+00 -0.893118D+00  0.802471D+00  0.196782D+01
      3   0.143957D+01  0.233564D+00  0.802471D+00 -0.138176D+01 -0.648658D+00
               101           102           103           104           105 
      1   0.196782D+01 -0.648658D+00  0.179666D+01 -0.149187D+01 -0.108724D+00
      2  -0.317741D+01 -0.899758D-01 -0.149187D+01  0.129861D+01  0.101915D-01
      3  -0.899758D-01 -0.116216D+01 -0.108724D+00  0.101915D-01  0.505397D+00
               106           107           108           109           110 
      1  -0.155482D+01  0.173293D+00 -0.307391D+00  0.478882D+00  0.694377D+00
      2   0.173293D+00 -0.516696D+00  0.512799D+00  0.694377D+00  0.810349D+00
      3  -0.307391D+00  0.512799D+00 -0.354990D+00  0.460152D+00  0.368761D+00
               111           112           113           114           115 
      1   0.460152D+00  0.793749D+00  0.163762D+00  0.545845D-01  0.896888D+00
      2   0.368761D+00  0.163762D+00  0.393348D+01  0.222442D+01  0.330137D+00
      3   0.129371D+01  0.545845D-01  0.222442D+01  0.265088D+01  0.582973D+00
               116           117           118           119           120 
      1   0.330137D+00  0.582973D+00 -0.250336D+01 -0.586091D+00  0.129188D+01
      2   0.370008D+01  0.324713D+01 -0.586091D+00 -0.791302D+00  0.382159D+00
      3   0.324713D+01  0.384716D+01  0.129188D+01  0.382159D+00 -0.158768D+01
               121           122           123           124           125 
      1  -0.153127D+01 -0.104543D+01  0.929970D+00  0.347781D+01  0.948414D+00
      2  -0.104543D+01 -0.104851D+01  0.970622D+00  0.948414D+00  0.157391D+01
      3   0.929970D+00  0.970622D+00 -0.178431D+01 -0.245971D+01 -0.125243D+01
               126 
      1  -0.245971D+01
      2  -0.125243D+01
      3   0.421115D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.565805D+00  0.109508D+01 -0.104049D+01 -0.907854D+00 -0.554019D+01
      2   0.519820D+00  0.901213D-03  0.121218D+01  0.116874D+01 -0.819123D+00
      3  -0.207139D+01  0.124403D+01  0.584668D+00  0.437127D+01  0.694574D+01
                 6             7             8             9            10 
      1  -0.373911D+01 -0.910902D+00  0.127446D+01  0.563410D+01  0.505935D+00
      2   0.129870D+01 -0.237591D+01  0.287094D+00 -0.634843D+01  0.647458D+01
      3   0.847627D+00  0.121842D+01 -0.289528D+00  0.114789D-01 -0.101086D+01
                11            12            13            14            15 
      1   0.148551D+00 -0.201029D+00 -0.244184D+01 -0.103180D+01  0.150602D+01
      2   0.433119D+00  0.343769D+01 -0.155647D+01 -0.222656D+00 -0.540366D+00
      3  -0.628322D+01 -0.139022D+01 -0.360107D+00 -0.198375D+01  0.191253D+01
                16            17            18            19            20 
      1   0.527436D+00  0.354476D+01  0.233612D+00  0.177418D+01  0.137646D+01
      2  -0.485924D+01  0.302995D+00  0.131399D+01 -0.910582D+01 -0.907605D+00
      3  -0.798921D+00 -0.949886D-01 -0.409434D-01  0.659841D+01  0.159956D+01
                21            22            23            24            25 
      1  -0.282077D+01  0.222277D+01  0.624515D+01  0.490256D+01  0.524034D+00
      2  -0.377141D+01 -0.403377D+01 -0.606779D+00  0.377144D+01 -0.133155D+02
      3   0.307402D+00  0.448986D+01 -0.994792D+01 -0.164456D+01  0.311222D+01
                26            27            28            29            30 
      1   0.633388D+01 -0.677517D+01  0.235480D+01 -0.457726D+01 -0.255657D+01
      2   0.142603D+01  0.485153D+01  0.372960D+01 -0.278398D+01  0.623999D+01
      3  -0.174428D+01 -0.112524D+01  0.678259D+01 -0.129979D+02 -0.418760D+00
                31            32            33            34            35 
      1  -0.440814D+01  0.153400D+01 -0.265558D+01 -0.122032D+01  0.289343D+01
      2  -0.898673D+00  0.900217D+00  0.160275D+00  0.262811D+01  0.151679D+01
      3  -0.845254D+01  0.434562D+01  0.277041D+01 -0.186890D+01  0.146167D+01
                36            37            38            39            40 
      1   0.226304D+01 -0.537706D+00  0.810942D-01 -0.251888D+00  0.145127D+01
      2  -0.604862D+01  0.166935D+01  0.201685D+01  0.296071D+01  0.166327D+01
      3  -0.160821D+01  0.655224D+01 -0.750440D+01 -0.182478D+01  0.173438D+01
                41            42            43            44            45 
      1   0.514082D+00 -0.199720D+01 -0.106594D+01  0.180394D+01 -0.212724D+01
      2   0.153605D+01 -0.522808D+01 -0.692076D+01 -0.371965D+01  0.112855D+02
      3   0.477385D+01 -0.200940D+01 -0.164859D+01 -0.367554D+01  0.391909D+01
                46            47            48            49            50 
      1  -0.136498D+01  0.418463D+00  0.184058D+01  0.112162D+01  0.619182D+01
      2  -0.544956D+00 -0.220707D+00  0.327102D+01  0.334571D-01  0.504965D+00
      3   0.110804D+02 -0.648925D+01  0.110341D+01  0.383219D+01  0.638775D+00
                51            52            53            54            55 
      1  -0.189623D+01  0.144849D+01  0.858543D+01  0.548962D+01 -0.773783D+00
      2   0.763599D+00 -0.331759D+01  0.663952D+00  0.206594D+00  0.133451D+01
      3  -0.122723D+01  0.126240D+01 -0.738830D+00 -0.261044D+01 -0.107042D+01
                56            57            58            59            60 
      1   0.109812D+01  0.422394D+01  0.123757D+00 -0.277644D+01 -0.891047D+01
      2  -0.429671D+00  0.603430D+01  0.386984D+01  0.195622D+01 -0.573502D+01
      3  -0.722858D+01  0.121208D+01  0.517405D+01  0.165580D+02 -0.174385D+01
                61            62            63            64            65 
      1  -0.201849D+00  0.205751D+01  0.234411D+01 -0.110642D+00 -0.611803D+00
      2   0.180970D+01 -0.424960D+01  0.201159D+01  0.406829D-01  0.658468D-01
      3  -0.928721D+00 -0.121615D+01  0.449211D+01 -0.669533D+00 -0.436274D+00
                66            67            68            69            70 
      1  -0.187987D+00  0.204227D+00 -0.118255D+01 -0.575285D+00 -0.268482D+00
      2   0.796337D+00  0.871403D+00  0.138541D+00  0.606540D+00 -0.299433D+01
      3   0.358459D+00  0.200383D+01 -0.136484D+00 -0.696129D-01 -0.837431D+00
                71            72            73            74            75 
      1   0.358532D+01  0.102173D+01 -0.137945D+01 -0.649045D+00  0.435390D+00
      2   0.348122D+00 -0.107157D+01  0.174307D+01  0.244762D+00 -0.680355D+00
      3   0.918058D+00 -0.942284D-01  0.149044D+00 -0.817761D+00  0.601042D+00
                76            77            78            79            80 
      1  -0.413065D+00 -0.115994D+01  0.989498D+00  0.258405D+00  0.355311D+01
      2   0.105899D+01  0.139655D+01 -0.167163D+01 -0.405916D+01 -0.444796D+00
      3   0.350483D+00  0.237373D-01 -0.107025D+01  0.688290D+00 -0.100483D+01
                81            82            83            84            85 
      1  -0.611916D+01  0.132268D+01 -0.301864D+00  0.619477D+00 -0.282045D+00
      2   0.814694D+01  0.350747D+00 -0.505817D+00  0.455252D+00 -0.909368D+00
      3  -0.719433D-01 -0.322122D+01  0.130415D+01 -0.323346D+00  0.537408D+01
                86            87            88            89            90 
      1   0.425185D+01 -0.323342D+01  0.386903D+00 -0.313395D+00  0.151044D+00
      2   0.132773D+01  0.822935D+00 -0.882800D+00  0.771914D+00  0.518381D+00
      3  -0.813883D+01 -0.672837D+00 -0.120596D+01  0.245314D+00 -0.112319D+01
                91            92            93            94            95 
      1  -0.362499D+01  0.385501D+01  0.301379D+00  0.421805D+01 -0.300561D+01
      2  -0.370255D+01  0.263845D+01 -0.167754D+01  0.187345D+01 -0.304681D+01
      3  -0.859659D+01  0.861110D+01  0.133674D+01  0.104627D+02 -0.108762D+02
                96            97            98            99           100 
      1  -0.207755D+01 -0.392906D-01  0.783901D+00  0.125150D+01  0.229627D+01
      2   0.211151D+01 -0.189310D+01  0.176495D+01 -0.137746D+00  0.896071D+00
      3  -0.571234D+00  0.862355D+00  0.292440D-01 -0.730309D+00 -0.135736D+02
               101           102           103           104           105 
      1  -0.904454D+00  0.285566D+01 -0.262228D-01  0.790616D+00 -0.966809D+00
      2  -0.358689D+00  0.211649D+01  0.125534D-01  0.412173D+00 -0.799678D+00
      3  -0.664247D+00 -0.154964D+01  0.202513D+01 -0.215719D+01 -0.603353D+00
               106           107           108           109           110 
      1   0.425590D+00 -0.232840D+00  0.889440D+00 -0.243961D+00 -0.890320D+00
      2  -0.455126D+00 -0.522331D+00  0.335933D+00 -0.388364D+00 -0.101941D+00
      3  -0.359232D+01 -0.426830D-01  0.127334D+00  0.968614D+00  0.715962D+00
               111           112           113           114           115 
      1  -0.276867D+01  0.977213D-01 -0.317461D+01 -0.573180D+01 -0.894056D+00
      2  -0.175928D+00 -0.595507D+00 -0.743703D+00 -0.845963D+00 -0.194693D+01
      3   0.314305D+00  0.278137D+01  0.118712D+01  0.549375D+00  0.220696D+01
               116           117           118           119           120 
      1  -0.391689D+01 -0.740188D+01  0.347461D+00 -0.138036D+00 -0.449025D+00
      2  -0.973520D+00 -0.881537D+00 -0.407221D+01 -0.146080D+01  0.543606D+01
      3   0.146657D+01  0.207197D+01 -0.103787D+01 -0.238719D+01  0.105771D+01
               121           122           123           124           125 
      1   0.952180D-01 -0.287097D+00 -0.126942D+01  0.150238D+00  0.138141D+01
      2  -0.255794D+01 -0.273339D+01  0.528575D+01  0.586264D+01  0.370769D+01
      3  -0.106664D+01 -0.211210D+01  0.247698D+01  0.153020D+01  0.468597D+01
               126 
      1   0.177617D+01
      2  -0.131271D+02
      3  -0.321747D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.192791D+02 -0.232807D+01 -0.238794D+01  0.409684D+01  0.145306D+02
      2   0.900833D+01  0.413864D+01 -0.103264D+01 -0.320891D+00 -0.191164D+02
      3   0.102707D+02 -0.181057D+01  0.342058D+01 -0.377595D+01  0.458586D+01
      4   0.338641D-01 -0.153625D+01  0.935449D+00  0.816131D+01 -0.569734D+01
      5  -0.140957D+01  0.258981D+00 -0.250301D+01  0.161927D+01  0.968656D+00
      6   0.241868D+01  0.228268D+01  0.210073D+01  0.151516D+01 -0.207245D+00
                 6             7             8             9            10 
      1  -0.291590D+00  0.406770D+01 -0.661654D+00  0.119933D+02 -0.277870D+01
      2  -0.241906D+01 -0.252017D+01 -0.836460D+00  0.315573D+01  0.336177D+01
      3   0.271065D+01 -0.154753D+01  0.149811D+01 -0.151491D+02 -0.583078D+00
      4   0.697698D+00  0.435251D+01  0.279763D+01  0.521987D+01 -0.348175D+01
      5   0.302975D+01  0.522912D+01  0.224572D+01 -0.987648D+01  0.915512D+00
      6   0.269052D+01  0.245028D+01  0.162066D+01 -0.175855D+01 -0.117812D+01
                11            12            13            14            15 
      1  -0.173094D+01 -0.426044D+00  0.417344D+00  0.498575D+01 -0.456943D+01
      2   0.345316D+01 -0.111815D+01  0.124277D+01 -0.443283D+01 -0.289793D+01
      3  -0.172222D+01  0.154419D+01 -0.166011D+01 -0.552925D+00  0.746736D+01
      4   0.336622D+01 -0.251374D+01 -0.774070D+01 -0.496331D-01  0.203694D+01
      5  -0.797382D+00  0.251540D+01 -0.900668D-01  0.167489D+01 -0.120137D+01
      6  -0.201195D+01  0.215975D+00  0.273550D+01  0.922018D+00 -0.933513D+01
                16            17            18            19            20 
      1  -0.425901D+01 -0.328145D+01  0.260377D+01 -0.262901D+01 -0.587378D+01
      2  -0.851537D+00 -0.399036D+01  0.109017D+02 -0.177043D+01  0.883788D+01
      3   0.511055D+01  0.727181D+01 -0.135055D+02  0.439945D+01 -0.296410D+01
      4  -0.248122D+01 -0.205208D+01 -0.400438D+01  0.669438D+01 -0.157094D+02
      5  -0.156314D+01 -0.206265D+01  0.714312D+01 -0.136355D+01  0.680467D+01
      6  -0.306150D+01  0.567374D+00  0.507118D+01  0.128351D+01  0.536048D-01
                21            22            23            24            25 
      1  -0.104879D+01  0.541371D+01 -0.959169D+00 -0.191889D+00 -0.296235D+01
      2  -0.358378D+01 -0.141858D+01 -0.117285D+02 -0.599635D+01  0.791756D+00
      3   0.463257D+01 -0.399513D+01  0.126876D+02  0.618824D+01  0.217060D+01
      4   0.560284D+01 -0.237116D+02  0.199826D+02 -0.267080D+01  0.105847D+02
      5  -0.856978D+01  0.103814D+02 -0.399112D+01  0.668284D+01 -0.200850D+01
      6   0.308286D+01 -0.954813D+00  0.445921D+01 -0.853590D+01  0.922682D+00
                26            27            28            29            30 
      1   0.340137D+01 -0.393333D+01  0.299363D+02  0.400655D+01 -0.482409D+01
      2   0.261672D+01 -0.171232D+01 -0.184838D+02  0.561931D+00  0.755401D+01
      3  -0.601809D+01  0.564565D+01 -0.114525D+02 -0.456848D+01 -0.272992D+01
      4   0.206524D+01  0.265920D+01  0.169385D+02  0.167475D+02 -0.544335D+01
      5   0.184914D+01  0.351358D+01 -0.105817D+02 -0.412826D+01  0.142233D+02
      6   0.359491D+01  0.554984D+01 -0.270352D+01 -0.179443D+01  0.419152D+01
                31            32            33            34            35 
      1  -0.525503D+01  0.659851D+01  0.241417D+01 -0.631618D-01 -0.526318D+00
      2   0.688576D+01  0.703312D+00  0.527384D-01  0.218538D+01  0.583395D+00
      3  -0.163072D+01 -0.730182D+01 -0.246691D+01 -0.212221D+01 -0.570772D-01
      4   0.152954D+02  0.906036D+01 -0.231463D+01 -0.563752D+01 -0.457684D+01
      5  -0.164719D+01 -0.375343D+01  0.155769D+01  0.134028D+02  0.560680D+01
      6  -0.913850D+00 -0.221876D+01  0.784478D+01  0.250703D+01  0.591796D+01
                36            37            38            39            40 
      1   0.499953D+00  0.466259D+02 -0.218230D+01  0.730492D+01 -0.124157D+02
      2  -0.985190D+01 -0.238854D+02  0.127568D+01 -0.386870D+01  0.809030D+01
      3   0.935195D+01 -0.227405D+02  0.906628D+00 -0.343622D+01  0.432539D+01
      4   0.660093D+01  0.222849D+01  0.112094D+02  0.465896D+01  0.663719D+01
      5  -0.141696D+02  0.104829D+02  0.333776D+01  0.553512D+01  0.312044D+01
      6  -0.432632D+01  0.179319D+01  0.592979D+00 -0.846019D+00  0.236421D+01
                41            42            43            44            45 
      1   0.624063D+00  0.232209D+01  0.107060D+02  0.209483D+01 -0.375767D+01
      2   0.414183D+01 -0.665855D+00 -0.739833D+01 -0.483344D+00 -0.155954D+01
      3  -0.476589D+01 -0.165624D+01 -0.330763D+01 -0.161148D+01  0.531721D+01
      4  -0.367299D+01  0.458482D+01  0.632073D+01  0.649197D+01 -0.747097D+01
      5   0.453647D+01 -0.890908D+01  0.109817D+01 -0.707197D+01  0.200035D+02
      6   0.176438D+01  0.137903D+01 -0.176691D+01  0.169035D+01  0.551381D+01
                46            47            48            49            50 
      1   0.845956D+00  0.292505D+01 -0.239136D+01  0.158765D+01 -0.118510D+02
      2  -0.315326D+01 -0.768929D+00  0.253188D+01 -0.135197D+01  0.215603D+02
      3   0.230730D+01 -0.215612D+01 -0.140520D+00 -0.235680D+00 -0.970927D+01
      4   0.123985D+02 -0.264837D+01  0.964601D+00  0.399259D+01 -0.150914D+01
      5  -0.139834D+01 -0.575868D+00  0.574203D+01 -0.429206D+00 -0.139462D+00
      6   0.144371D+01 -0.689132D+00 -0.456317D+01 -0.378652D+01 -0.991355D+01
                51            52            53            54            55 
      1   0.671369D+01 -0.251286D+00  0.862607D+01  0.473404D+01  0.218340D+02
      2  -0.552436D+01  0.190718D+01 -0.808990D+01 -0.835558D+01 -0.748086D+01
      3  -0.118933D+01 -0.165589D+01 -0.536172D+00  0.362153D+01 -0.143531D+02
      4  -0.153098D+01  0.185390D+01  0.114957D+01 -0.169302D+01 -0.238058D+02
      5   0.688390D+00  0.445286D+01  0.482977D+00 -0.876112D+00  0.865837D+01
      6   0.543695D+00 -0.370914D+01 -0.632542D+01 -0.122071D+02 -0.243243D+01
                56            57            58            59            60 
      1  -0.849185D+01  0.270593D+01 -0.925234D+01 -0.935514D+01  0.228258D+01
      2  -0.257226D+01 -0.217988D+01 -0.182950D+01  0.302277D+02 -0.340691D+00
      3   0.110641D+02 -0.526048D+00  0.110818D+02 -0.208726D+02 -0.194189D+01
      4   0.249772D+02 -0.554315D+01  0.294463D+02 -0.436460D+02  0.673314D+01
      5  -0.644132D+01  0.121869D+02 -0.558120D+01  0.898364D+01 -0.123660D+02
      6   0.209034D+01 -0.582532D+01  0.348100D+01 -0.522452D+01  0.134610D+02
                61            62            63            64            65 
      1   0.414817D+01  0.130446D+01 -0.994035D+00  0.699876D+00  0.481145D+00
      2  -0.240363D+01 -0.107533D+01 -0.154797D+01 -0.369066D+01 -0.115529D+01
      3  -0.174453D+01 -0.229131D+00  0.254200D+01  0.299079D+01  0.674141D+00
      4  -0.502422D+01  0.452504D+01 -0.119828D+02  0.118872D+01  0.208075D+01
      5   0.132542D+02 -0.119778D+02  0.928686D+01 -0.245880D+01 -0.149029D+01
      6  -0.591448D+01  0.114320D+02 -0.588946D+01 -0.145857D+01 -0.527729D+00
                66            67            68            69            70 
      1  -0.216644D+00  0.132169D-01 -0.424540D+01  0.381102D+01  0.112140D+01
      2   0.176395D+01 -0.112072D+01 -0.124029D+00  0.235621D+01  0.203769D+01
      3  -0.154730D+01  0.110750D+01  0.436942D+01 -0.616723D+01 -0.315909D+01
      4  -0.945219D+00  0.362113D+01  0.174150D+01 -0.173968D+01 -0.136037D+01
      5   0.665689D+01 -0.187566D+01 -0.169847D+01  0.236604D+01  0.591065D+01
      6   0.556054D+00 -0.138472D+01 -0.483023D+01  0.842333D+01  0.169325D+01
                71            72            73            74            75 
      1   0.277418D+01 -0.155023D+02  0.708673D+00 -0.560531D+00  0.375707D+01
      2   0.437900D+01 -0.156525D+02 -0.340556D+01  0.811889D-01 -0.617561D-01
      3  -0.715318D+01  0.311548D+02  0.269689D+01  0.479342D+00 -0.369532D+01
      4  -0.152807D+01  0.216562D+01 -0.722507D+00  0.390180D+00  0.651233D+00
      5   0.156298D+01 -0.646786D+01  0.647576D+00 -0.431822D+00  0.408778D+01
      6   0.641430D+01 -0.755166D+01  0.580855D-02 -0.831664D+00 -0.700090D+00
                76            77            78            79            80 
      1  -0.241237D+01 -0.412717D+01  0.182611D+01  0.476250D+01 -0.867035D-03
      2   0.126631D+01  0.176382D+01  0.252634D+01 -0.175253D+01  0.181334D+01
      3   0.114606D+01  0.236334D+01 -0.435245D+01 -0.300997D+01 -0.181248D+01
      4  -0.684070D+00 -0.828123D+00  0.230420D+01  0.140664D+01  0.232482D+01
      5  -0.654847D+00  0.183519D+01 -0.311381D+01  0.431994D+01 -0.388903D+00
      6   0.166474D-01 -0.889473D+00  0.371981D+01 -0.159226D+00  0.442020D+01
                81            82            83            84            85 
      1  -0.168486D+02 -0.140630D+01  0.473560D+01  0.265751D+00  0.557562D+01
      2  -0.120334D+02  0.375636D+01 -0.433333D+01  0.780457D-01 -0.421048D+01
      3   0.288820D+02 -0.235006D+01 -0.402274D+00 -0.343797D+00 -0.136514D+01
      4  -0.198390D+01  0.746411D+00  0.368652D+01 -0.118931D-01  0.440818D+01
      5   0.136746D+02 -0.462164D+00  0.730784D+00  0.576071D+00  0.894878D+00
      6   0.517361D+01  0.208021D+00 -0.821208D+00 -0.798700D+00 -0.438594D+00
                86            87            88            89            90 
      1  -0.207461D+02 -0.215712D+01 -0.133708D+01  0.417122D+00 -0.450443D+01
      2   0.329881D+02  0.138015D+01  0.105792D+01 -0.142770D+01  0.259799D+01
      3  -0.122419D+02  0.776972D+00  0.279153D+00  0.101058D+01  0.190644D+01
      4   0.134250D+02  0.780365D+00 -0.633766D+00 -0.125264D+01  0.989508D+00
      5   0.232609D+00  0.160748D+01  0.356336D+00  0.162811D+01  0.630047D+00
      6   0.518170D+01  0.566525D+01 -0.773277D+00  0.534431D+01  0.145947D+00
                91            92            93            94            95 
      1  -0.109286D+02  0.377593D+01  0.107594D+01  0.993035D+01 -0.799120D+01
      2   0.892851D+01 -0.126631D+01 -0.273393D+01 -0.580692D+01  0.960451D+01
      3   0.200007D+01 -0.250962D+01  0.165799D+01 -0.412343D+01 -0.161331D+01
      4  -0.113599D+01 -0.201897D+01  0.178245D+01  0.468545D+01  0.106844D+02
      5   0.285404D+01  0.457232D+00 -0.382964D+01 -0.256999D+01 -0.188738D+01
      6   0.190405D+01  0.109603D+00  0.448094D+00 -0.212430D+01 -0.453205D+01
                96            97            98            99           100 
      1   0.605187D+00  0.874339D+00  0.270165D+01 -0.302830D+01  0.111207D+02
      2  -0.277425D+00 -0.784633D+00 -0.229920D+01  0.113899D+01 -0.956511D+00
      3  -0.327762D+00 -0.897056D-01 -0.402454D+00  0.188932D+01 -0.101642D+02
      4  -0.394403D+01  0.186333D+00 -0.139970D+01  0.156125D+01 -0.194908D+02
      5   0.431566D+01  0.110822D+01  0.161937D+01 -0.899793D+00 -0.784737D+00
      6   0.367767D+01  0.128797D+00  0.359745D+01 -0.390996D+01 -0.138737D+01
               101           102           103           104           105 
      1   0.151641D+01  0.256160D+01 -0.863689D+00  0.714202D+00  0.537461D-01
      2  -0.740527D+01 -0.467053D+00 -0.301870D+01  0.325351D+01 -0.390752D+00
      3   0.588885D+01 -0.209455D+01  0.388238D+01 -0.396771D+01  0.337006D+00
      4   0.131878D+02 -0.165666D+01  0.937503D+01 -0.576611D+01  0.143398D+00
      5   0.595561D+00  0.267070D+01  0.856105D+00 -0.200879D+00 -0.107108D+01
      6  -0.105421D+01 -0.443998D+01 -0.668052D+00  0.378932D+00  0.238646D+01
               106           107           108           109           110 
      1   0.118922D+01  0.721695D-01  0.204449D-01 -0.991084D+00 -0.228615D+01
      2  -0.421967D+00 -0.928385D+00 -0.239573D+00  0.116302D+01  0.184612D+01
      3  -0.767250D+00  0.856215D+00  0.219128D+00 -0.171931D+00  0.440036D+00
      4  -0.423149D+01  0.100708D+01 -0.148002D+01  0.676560D+00  0.372747D+01
      5   0.234252D+01 -0.989209D+00  0.271676D+00  0.619129D+00  0.177481D+01
      6  -0.877350D+00  0.250423D+01 -0.116634D+01  0.250601D+01  0.323306D+01
               111           112           113           114           115 
      1  -0.209497D+01 -0.154479D+01 -0.125057D+02 -0.799805D+01 -0.197890D+01
      2   0.667206D+00  0.118668D+01  0.146338D+02  0.782525D+01  0.690066D+00
      3   0.142777D+01  0.358109D+00 -0.212813D+01  0.172802D+00  0.128883D+01
      4   0.264712D+01  0.402454D+01 -0.176376D+01 -0.744497D+00  0.316845D+01
      5   0.199658D+01  0.101499D+01 -0.115969D+01 -0.198173D+01  0.248470D+01
      6   0.490028D+01  0.523925D+00  0.150522D+02  0.148049D+02  0.244890D+01
               116           117           118           119           120 
      1  -0.123677D+02 -0.131560D+02  0.134959D+02  0.366680D+01 -0.709621D+01
      2   0.103990D+02  0.615142D+01 -0.701876D+01 -0.152015D+01  0.385822D+01
      3   0.196871D+01  0.700462D+01 -0.647718D+01 -0.214665D+01  0.323799D+01
      4  -0.100889D+01  0.284947D+00  0.597187D+01  0.520771D+01 -0.386692D+01
      5  -0.171500D+01 -0.118838D+01 -0.782979D+01 -0.283313D+01  0.100216D+02
      6   0.182747D+02  0.192893D+02 -0.240295D+01 -0.631959D+00  0.167776D+01
               121           122           123           124           125 
      1   0.588225D+01  0.254938D+01 -0.299500D+01 -0.146101D+02 -0.272833D+01
      2  -0.194021D+01  0.817480D-01  0.720688D+00  0.887023D+01  0.116473D+01
      3  -0.394204D+01 -0.263112D+01  0.227432D+01  0.573986D+01  0.156359D+01
      4   0.793017D+01  0.627969D+01 -0.644707D+01 -0.850471D+01 -0.854313D+01
      5  -0.503889D+01 -0.540104D+01  0.839521D+01  0.150531D+02  0.745085D+01
      6  -0.247672D+01 -0.268087D+01  0.458446D+01  0.435133D+01  0.361461D+01
               126 
      1   0.766652D+01
      2  -0.719960D+01
      3  -0.466916D+00
      4   0.913381D+01
      5  -0.231563D+02
      6  -0.667255D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Mon Aug 16 21:26:33 2021, MaxMem=  5637144576 cpu:            3786.9 elap:             474.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -18.99256 -18.98212 -18.93929 -14.20185 -10.20684
 Alpha  occ. eigenvalues --  -10.14399 -10.13620  -1.22644  -1.17211  -1.14164
 Alpha  occ. eigenvalues --   -1.05074  -0.89407  -0.79319  -0.72647  -0.67084
 Alpha  occ. eigenvalues --   -0.66504  -0.65201  -0.60815  -0.57356  -0.56379
 Alpha  occ. eigenvalues --   -0.55285  -0.53214  -0.49335  -0.47171  -0.43338
 Alpha  occ. eigenvalues --   -0.43038  -0.40905  -0.37894
 Alpha virt. eigenvalues --    0.01905   0.03536   0.04292   0.05054   0.06447
 Alpha virt. eigenvalues --    0.06717   0.07700   0.08364   0.09808   0.10948
 Alpha virt. eigenvalues --    0.11486   0.12796   0.12968   0.14006   0.14812
 Alpha virt. eigenvalues --    0.15206   0.15669   0.16056   0.17349   0.18411
 Alpha virt. eigenvalues --    0.18890   0.19230   0.19630   0.21650   0.23451
 Alpha virt. eigenvalues --    0.24729   0.25296   0.25826   0.26260   0.27097
 Alpha virt. eigenvalues --    0.27762   0.28962   0.29474   0.30237   0.30872
 Alpha virt. eigenvalues --    0.31622   0.32032   0.32752   0.33910   0.34305
 Alpha virt. eigenvalues --    0.34937   0.36880   0.37626   0.39063   0.40599
 Alpha virt. eigenvalues --    0.41147   0.42446   0.43580   0.43916   0.44778
 Alpha virt. eigenvalues --    0.44995   0.46299   0.47183   0.48732   0.49352
 Alpha virt. eigenvalues --    0.50199   0.51175   0.51993   0.53453   0.53834
 Alpha virt. eigenvalues --    0.54437   0.56634   0.59937   0.61357   0.61776
 Alpha virt. eigenvalues --    0.61976   0.62586   0.63188   0.63899   0.65560
 Alpha virt. eigenvalues --    0.67547   0.68302   0.69265   0.69770   0.70926
 Alpha virt. eigenvalues --    0.72792   0.74662   0.76207   0.77456   0.77587
 Alpha virt. eigenvalues --    0.79045   0.79676   0.82164   0.83181   0.84664
 Alpha virt. eigenvalues --    0.86441   0.87298   0.89447   0.91331   0.91732
 Alpha virt. eigenvalues --    0.94664   0.97838   0.99281   0.99937   1.01366
 Alpha virt. eigenvalues --    1.03768   1.04562   1.07615   1.09706   1.11799
 Alpha virt. eigenvalues --    1.12981   1.15073   1.15576   1.17764   1.18143
 Alpha virt. eigenvalues --    1.19163   1.22775   1.24095   1.25224   1.28457
 Alpha virt. eigenvalues --    1.30273   1.32511   1.33248   1.34887   1.39806
 Alpha virt. eigenvalues --    1.41595   1.43377   1.48049   1.51367   1.53735
 Alpha virt. eigenvalues --    1.54604   1.57167   1.57904   1.60865   1.62391
 Alpha virt. eigenvalues --    1.65366   1.68466   1.71686   1.72078   1.75820
 Alpha virt. eigenvalues --    1.78608   1.80150   1.83401   1.85615   1.86182
 Alpha virt. eigenvalues --    1.87810   1.89582   1.92878   1.95193   1.96840
 Alpha virt. eigenvalues --    2.00182   2.01510   2.02075   2.06396   2.08273
 Alpha virt. eigenvalues --    2.12355   2.14662   2.18304   2.19872   2.21039
 Alpha virt. eigenvalues --    2.22272   2.24658   2.25865   2.26762   2.29593
 Alpha virt. eigenvalues --    2.33640   2.34339   2.36866   2.41143   2.43147
 Alpha virt. eigenvalues --    2.46680   2.48426   2.54925   2.55866   2.62302
 Alpha virt. eigenvalues --    2.65952   2.68334   2.69620   2.74282   2.75989
 Alpha virt. eigenvalues --    2.80583   2.84848   2.87529   2.91431   3.00667
 Alpha virt. eigenvalues --    3.07010   3.12168   3.21071   3.30240   3.38670
 Alpha virt. eigenvalues --    3.44408   3.45418   3.47619   3.48184   3.48722
 Alpha virt. eigenvalues --    3.51700   3.52939   3.54497   3.55951   3.57637
 Alpha virt. eigenvalues --    3.63127   3.69106   3.79774   3.89646   3.99392
 Alpha virt. eigenvalues --    4.05866
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.568862   0.189916  -0.120357   0.027026   0.071127  -0.014381
     2  C    0.189916   6.326643  -0.588991   0.183495   0.119659   0.155894
     3  C   -0.120357  -0.588991   6.304493  -0.230711   0.004190   0.031834
     4  O    0.027026   0.183495  -0.230711   8.349401  -0.003499  -0.088100
     5  O    0.071127   0.119659   0.004190  -0.003499   8.237937  -0.033595
     6  N   -0.014381   0.155894   0.031834  -0.088100  -0.033595   6.463783
     7  O    0.041381  -0.002022   0.196991  -0.057799  -0.004035  -0.016093
     8  H    0.085268  -0.323762  -0.124006   0.002224  -0.012485  -0.093007
     9  H    0.227458  -0.153643  -0.092782   0.025310  -0.205690  -0.050231
    10  H    0.088393   0.050620   0.002168  -0.007704  -0.028635   0.032281
    11  H   -0.017560  -0.145191  -0.020209   0.200427   0.001251   0.075867
    12  H   -0.064551  -0.127596   0.002152   0.004295   0.021719   0.286601
    13  H   -0.011106   0.110014  -0.033586  -0.004566  -0.001706   0.365309
    14  H   -0.010930  -0.039459  -0.006784   0.001078   0.282080  -0.005558
               7          8          9         10         11         12
     1  C    0.041381   0.085268   0.227458   0.088393  -0.017560  -0.064551
     2  C   -0.002022  -0.323762  -0.153643   0.050620  -0.145191  -0.127596
     3  C    0.196991  -0.124006  -0.092782   0.002168  -0.020209   0.002152
     4  O   -0.057799   0.002224   0.025310  -0.007704   0.200427   0.004295
     5  O   -0.004035  -0.012485  -0.205690  -0.028635   0.001251   0.021719
     6  N   -0.016093  -0.093007  -0.050231   0.032281   0.075867   0.286601
     7  O    8.297277   0.025104   0.013289  -0.006098   0.011395   0.000319
     8  H    0.025104   1.749706   0.113713  -0.082708   0.011632   0.040426
     9  H    0.013289   0.113713   1.745195  -0.375008  -0.002883  -0.010894
    10  H   -0.006098  -0.082708  -0.375008   1.621903   0.004314   0.012027
    11  H    0.011395   0.011632  -0.002883   0.004314   0.662110   0.006854
    12  H    0.000319   0.040426  -0.010894   0.012027   0.006854   0.927570
    13  H    0.002361  -0.109563  -0.001225  -0.005999  -0.011620  -0.146877
    14  H    0.001259   0.003776   0.049432  -0.073876  -0.000762  -0.000756
              13         14
     1  C   -0.011106  -0.010930
     2  C    0.110014  -0.039459
     3  C   -0.033586  -0.006784
     4  O   -0.004566   0.001078
     5  O   -0.001706   0.282080
     6  N    0.365309  -0.005558
     7  O    0.002361   0.001259
     8  H   -0.109563   0.003776
     9  H   -0.001225   0.049432
    10  H   -0.005999  -0.073876
    11  H   -0.011620  -0.000762
    12  H   -0.146877  -0.000756
    13  H    0.850382   0.001809
    14  H    0.001809   0.664456
 Mulliken charges:
               1
     1  C    0.939454
     2  C    0.244422
     3  C    0.675598
     4  O   -0.400876
     5  O   -0.448318
     6  N   -0.110604
     7  O   -0.503327
     8  H   -0.286319
     9  H   -0.282043
    10  H   -0.231679
    11  H    0.224375
    12  H    0.048711
    13  H   -0.003627
    14  H    0.134234
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.425732
     2  C   -0.041897
     3  C    0.675598
     4  O   -0.176501
     5  O   -0.314084
     6  N   -0.065520
     7  O   -0.503327
 Electronic spatial extent (au):  <R**2>=            812.3178
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -3.5629    Y=              2.0860    Z=              1.7892  Tot=              4.4997
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -51.1852   YY=            -40.9595   ZZ=            -39.2850
   XY=              5.1215   XZ=             -3.5447   YZ=              2.1384
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -7.3753   YY=              2.8504   ZZ=              4.5249
   XY=              5.1215   XZ=             -3.5447   YZ=              2.1384
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -14.7988  YYY=             11.1468  ZZZ=              1.9556  XYY=            -10.7515
  XXY=              3.7245  XXZ=             13.2252  XZZ=             -3.6102  YZZ=              2.7625
  YYZ=              2.4982  XYZ=              4.8956
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -667.3322 YYYY=           -256.1729 ZZZZ=            -95.5561 XXXY=             20.2419
 XXXZ=            -34.5482 YYYX=             12.2940 YYYZ=             10.8104 ZZZX=             -2.4528
 ZZZY=              1.9028 XXYY=           -146.7789 XXZZ=           -117.4679 YYZZ=            -55.4571
 XXYZ=             -6.8872 YYXZ=             -8.8247 ZZXY=              4.2253
 N-N= 3.233201492639D+02 E-N=-1.580893148876D+03  KE= 3.958753075377D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Mon Aug 16 21:26:34 2021, MaxMem=  5637144576 cpu:               1.6 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-1.40490352D+00 8.25059592D-01 6.96984983D-01
 Polarizability= 6.00535858D+01-1.74616698D+00 5.74968900D+01
                -2.03350776D+00-2.55419927D+00 4.66994175D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        1.0555    1.0556       -0.8797   -0.8798
 2     -1.0555   -1.0556        1.3693    1.3691       -1.3860   -1.3866
 3      0.8797    0.8798        7.0652    7.0655       -1.3691   -1.3691
 4     -1.3693   -1.3691       -0.0000    0.0000        0.8796    0.8798
 5     -5.6792   -5.6789       -0.8796   -0.8798        1.0554    1.0556
 6      1.3691    1.3691       -1.0554   -1.0556        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -3.1667   -3.1667       -2.6394   -2.6394
 2     -4.1074   -4.1074        0.0000    0.0000       -2.6394   -2.6394
 3     -4.1074   -4.1074       -3.1667   -3.1667        0.0000    0.0000
 4     -3.1667   -3.1667        4.1074    4.1074       -4.1599   -4.1599
 5      2.6394    2.6394       21.1966   21.1966       -4.1074   -4.1074
 6    -17.0366  -17.0366       -2.6394   -2.6394        3.1667    3.1667
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0095    0.0000       -4.2132   -4.2223        3.5077    3.5192
 2      4.2451    4.2223       -5.4605   -5.4766        5.5758    5.5466
 3     -3.5206   -3.5192      -28.2706  -28.2621        5.4642    5.4766
 4      5.4685    5.4766       -0.0129    0.0000       -3.5288   -3.5192
 5     22.7164   22.7155        3.5198    3.5192       -4.2332   -4.2223
 6     -5.4792   -5.4766        4.2248    4.2223       -0.0027    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0017    0.0000        5.5950    5.5933        1.4567    1.4537
 2     -5.5958   -5.5933      -12.2764  -12.2716       16.9893   17.0080
 3     -1.4464   -1.4537        2.0350    2.0911       12.1902   12.2716
 4     12.2593   12.2716        0.0007    0.0000       -1.4451   -1.4537
 5    -19.0612  -19.0990        1.4685    1.4537        5.6200    5.5933
 6    -12.2612  -12.2716       -5.6024   -5.5933       -0.0008    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      8.0116    7.9921       16.1594   16.1638      -10.8727  -10.8867
 2     24.3840   24.3829       16.7494   16.7402      -10.8765  -10.8867
 3     24.3844   24.3829       16.1730   16.1638      -12.5841  -12.5957
 4     -0.5813   -0.5765      -16.3849  -16.3908       15.6840   15.7023
 5     -1.7011   -1.7090       20.9828   21.0368       16.2998   16.3908
 6    -36.7154  -36.7391        1.7091    1.7090        0.5903    0.5765
 Full mass-weighted force constant matrix:
 Low frequencies ---   -2.5836   -0.0004    0.0007    0.0010    0.7792    3.7127
 Low frequencies ---   82.7834  129.3509  192.3251
 Diagonal vibrational polarizability:
       37.1241251      41.1371557      21.8017013
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     82.7833               129.3508               192.3251
 Red. masses --      6.3059                 2.5858                 5.7991
 Frc consts  --      0.0255                 0.0255                 0.1264
 IR Inten    --      2.6980                12.7116                 8.1281
 RamAct Fr= 1--      0.8024                 0.2944                 0.4495
  Dep-P Fr= 1--      0.7434                 0.6788                 0.6938
  Dep-U Fr= 1--      0.8528                 0.8087                 0.8192
 Alpha2 Fr= 1--      0.0001                 0.0004                 0.0004
 Beta2  Fr= 1--      0.1140                 0.0397                 0.0614
 AlphaG Fr= 1--      0.0006                -0.0009                 0.0002
 Gamma2 Fr= 1--      0.1650                 0.1054                -0.0074
 Delta2 Fr= 1--      0.0844                 0.0207                 0.0095
 Raman1 Fr= 1--       3.210                  1.178                  1.798
 ROA1   Fr= 1--      18.539                 10.783                 -0.408
 CID1   Fr= 1--       5.776                  9.157                 -0.227
 Raman2 Fr= 1--       1.369                  0.476                  0.737
 ROA2   Fr= 1--       3.285                  2.365                 -0.254
 CID2   Fr= 1--       2.400                  4.968                 -0.344
 Raman3 Fr= 1--       2.737                  0.952                  1.473
 ROA3   Fr= 1--      18.539                 10.783                 -0.408
 CID3   Fr= 1--       6.773                 11.323                 -0.277
 RC180  Fr= 1--       0.706                  0.617                  0.638
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.05   0.06     0.01  -0.14   0.17    -0.20  -0.03  -0.13
     2   6    -0.00   0.08  -0.09     0.02  -0.03   0.08    -0.03  -0.19  -0.18
     3   6    -0.00   0.02  -0.03     0.01   0.00  -0.01     0.07  -0.04  -0.03
     4   8     0.21   0.12   0.31    -0.04   0.06   0.02     0.07   0.09   0.12
     5   8    -0.03  -0.13   0.16     0.03   0.16  -0.12    -0.11   0.20   0.15
     6   7     0.00   0.07  -0.24    -0.05  -0.06  -0.02    -0.04  -0.18  -0.11
     7   8    -0.17  -0.11  -0.22     0.04  -0.01  -0.10     0.24   0.08   0.11
     8   1     0.01   0.22  -0.04     0.10   0.05   0.11    -0.03  -0.23  -0.19
     9   1    -0.14  -0.13   0.02     0.20  -0.47   0.12    -0.34   0.03  -0.14
    10   1     0.06  -0.03   0.14    -0.17  -0.14   0.50    -0.37  -0.07  -0.24
    11   1     0.23   0.14   0.26    -0.08   0.03   0.07    -0.05  -0.02   0.01
    12   1     0.05   0.04  -0.44    -0.04  -0.14  -0.12    -0.07  -0.18   0.03
    13   1    -0.20   0.13  -0.22    -0.15   0.01  -0.04     0.07  -0.21  -0.12
    14   1     0.09  -0.04   0.25    -0.18   0.42  -0.06    -0.01   0.25   0.21
                      4                      5                      6
                      A                      A                      A
 Frequencies --    312.5194               320.7589               341.2563
 Red. masses --      1.7166                 1.8756                 2.6226
 Frc consts  --      0.0988                 0.1137                 0.1799
 IR Inten    --     22.1805                55.7047                17.3009
 RamAct Fr= 1--      0.6129                 0.4641                 1.3338
  Dep-P Fr= 1--      0.5338                 0.7492                 0.1986
  Dep-U Fr= 1--      0.6960                 0.8566                 0.3314
 Alpha2 Fr= 1--      0.0026                 0.0000                 0.0182
 Beta2  Fr= 1--      0.0711                 0.0663                 0.0737
 AlphaG Fr= 1--     -0.0064                 0.0004                -0.0140
 Gamma2 Fr= 1--      0.2662                -0.1916                 0.1497
 Delta2 Fr= 1--      0.1986                 0.1102                 0.0994
 Raman1 Fr= 1--       2.451                  1.857                  5.335
 ROA1   Fr= 1--      31.907                -14.869                 17.554
 CID1   Fr= 1--      13.015                 -8.009                  3.290
 Raman2 Fr= 1--       0.853                  0.795                  0.884
 ROA2   Fr= 1--       4.799                 -5.481                  2.799
 CID2   Fr= 1--       5.625                 -6.892                  3.166
 Raman3 Fr= 1--       1.706                  1.590                  1.768
 ROA3   Fr= 1--      31.907                -14.869                 17.554
 CID3   Fr= 1--      18.699                 -9.349                  9.928
 RC180  Fr= 1--       0.392                  0.713                 -0.337
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06   0.00  -0.06    -0.06  -0.01   0.00    -0.08  -0.07   0.05
     2   6     0.01   0.00  -0.03    -0.02  -0.00  -0.02    -0.00   0.03  -0.06
     3   6     0.00   0.02  -0.01     0.00  -0.02  -0.01     0.01   0.05  -0.08
     4   8     0.05  -0.04  -0.04    -0.06   0.02   0.01     0.21  -0.02  -0.04
     5   8     0.09   0.02   0.03    -0.09  -0.10  -0.06    -0.11  -0.06  -0.07
     6   7    -0.15  -0.02   0.05     0.16   0.05   0.05    -0.04   0.03   0.12
     7   8    -0.07  -0.01   0.02     0.06   0.01   0.01    -0.04   0.06   0.03
     8   1     0.02  -0.08  -0.05    -0.03   0.02  -0.01     0.13  -0.04  -0.06
     9   1    -0.00   0.04  -0.06    -0.08  -0.05  -0.01    -0.08  -0.30  -0.00
    10   1     0.06  -0.00  -0.09    -0.00  -0.00   0.04    -0.08  -0.05   0.28
    11   1     0.14   0.02  -0.02    -0.07   0.04   0.17     0.31   0.02  -0.24
    12   1    -0.12  -0.16  -0.16     0.28   0.20  -0.35    -0.13   0.09   0.56
    13   1    -0.43  -0.05   0.14    -0.12  -0.05   0.18     0.37  -0.05   0.07
    14   1     0.35   0.59   0.41     0.18   0.64   0.40    -0.12   0.16   0.04
                      7                      8                      9
                      A                      A                      A
 Frequencies --    364.0518               435.0243               567.1648
 Red. masses --      1.2893                 3.5655                 3.9462
 Frc consts  --      0.1007                 0.3976                 0.7479
 IR Inten    --     52.0804                26.1892                 6.9497
 RamAct Fr= 1--      0.5447                 2.0064                 1.8193
  Dep-P Fr= 1--      0.3104                 0.2270                 0.5290
  Dep-U Fr= 1--      0.4737                 0.3700                 0.6919
 Alpha2 Fr= 1--      0.0054                 0.0253                 0.0078
 Beta2  Fr= 1--      0.0430                 0.1237                 0.2098
 AlphaG Fr= 1--      0.0103                -0.0046                 0.0029
 Gamma2 Fr= 1--     -0.0612                -0.0026                 0.0877
 Delta2 Fr= 1--      0.0108                 0.0499                -0.1192
 Raman1 Fr= 1--       2.179                  8.025                  7.277
 ROA1   Fr= 1--      -5.526                  1.345                  4.604
 CID1   Fr= 1--      -2.536                  0.168                  0.633
 Raman2 Fr= 1--       0.516                  1.485                  2.518
 ROA2   Fr= 1--      -1.554                 -0.462                  3.058
 CID2   Fr= 1--      -3.012                 -0.311                  1.215
 Raman3 Fr= 1--       1.032                  2.969                  5.035
 ROA3   Fr= 1--      -5.526                  1.345                  4.604
 CID3   Fr= 1--      -5.354                  0.453                  0.914
 RC180  Fr= 1--      -0.053                 -0.260                  0.384
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.01  -0.03    -0.03   0.17   0.06     0.01  -0.08  -0.08
     2   6    -0.01  -0.02   0.00    -0.01   0.06   0.16    -0.11   0.12  -0.16
     3   6    -0.04   0.00   0.02     0.07  -0.06   0.07    -0.03  -0.10   0.06
     4   8    -0.06   0.04   0.04     0.05  -0.09   0.02    -0.08  -0.12   0.07
     5   8     0.05  -0.01  -0.01    -0.13  -0.07  -0.08     0.08   0.03   0.05
     6   7     0.02  -0.03  -0.05    -0.16   0.01  -0.07    -0.09   0.25   0.05
     7   8    -0.04  -0.01  -0.01     0.19  -0.05  -0.10     0.19  -0.05  -0.06
     8   1    -0.05  -0.03  -0.00     0.00   0.13   0.19    -0.32   0.11  -0.19
     9   1     0.03   0.01  -0.02     0.02   0.47   0.15    -0.06  -0.48  -0.19
    10   1     0.05  -0.01  -0.03     0.04   0.16  -0.22     0.04  -0.04   0.33
    11   1    -0.15  -0.05  -0.11     0.06  -0.11  -0.15    -0.00  -0.07   0.06
    12   1    -0.10   0.04   0.49    -0.24  -0.16   0.12    -0.15   0.27   0.28
    13   1     0.60   0.06  -0.25     0.03   0.29  -0.29     0.01  -0.00   0.19
    14   1     0.22   0.38   0.25     0.02   0.32   0.17     0.10  -0.11  -0.02
                     10                     11                     12
                      A                      A                      A
 Frequencies --    662.4185               729.8231               855.6674
 Red. masses --      4.7900                 7.4140                 1.4055
 Frc consts  --      1.2384                 2.3267                 0.6063
 IR Inten    --      5.7003                13.2371                66.5510
 RamAct Fr= 1--      0.9520                 4.6315                 1.9950
  Dep-P Fr= 1--      0.7018                 0.0528                 0.3371
  Dep-U Fr= 1--      0.8248                 0.1002                 0.5043
 Alpha2 Fr= 1--      0.0008                 0.0909                 0.0183
 Beta2  Fr= 1--      0.1309                 0.0774                 0.1677
 AlphaG Fr= 1--     -0.0024                 0.0769                -0.0678
 Gamma2 Fr= 1--     -0.2421                -0.5147                 0.6949
 Delta2 Fr= 1--      0.3372                 0.0470                -0.0348
 Raman1 Fr= 1--       3.808                 18.526                  7.980
 ROA1   Fr= 1--     -12.451                -47.907                 65.600
 CID1   Fr= 1--      -3.270                 -2.586                  8.221
 Raman2 Fr= 1--       1.570                  0.928                  2.012
 ROA2   Fr= 1--      -8.509                -12.729                 16.956
 CID2   Fr= 1--      -5.419                -13.710                  8.428
 Raman3 Fr= 1--       3.141                  1.857                  4.024
 ROA3   Fr= 1--     -12.451                -47.907                 65.600
 CID3   Fr= 1--      -3.964                -25.800                 16.302
 RC180  Fr= 1--       0.650                 -0.800                  0.009
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.11  -0.09    -0.07  -0.11  -0.16     0.01  -0.02   0.01
     2   6    -0.19  -0.06   0.13     0.14   0.02  -0.02     0.09  -0.02  -0.02
     3   6    -0.11   0.19   0.25     0.38   0.16   0.42    -0.04   0.03   0.02
     4   8     0.09  -0.16  -0.03    -0.03   0.13  -0.18    -0.05  -0.07   0.01
     5   8     0.04   0.03   0.03    -0.13   0.01   0.02    -0.02  -0.00  -0.01
     6   7     0.09  -0.08  -0.01    -0.01   0.06  -0.01     0.03   0.04  -0.07
     7   8     0.02   0.18  -0.18    -0.10  -0.22  -0.02    -0.00   0.05  -0.01
     8   1    -0.50  -0.08   0.09    -0.27  -0.00  -0.08     0.14   0.08   0.01
     9   1     0.02  -0.02  -0.05    -0.20  -0.29  -0.22    -0.00   0.11   0.05
    10   1    -0.07  -0.12  -0.14    -0.19  -0.11   0.03    -0.03  -0.03  -0.11
    11   1     0.45   0.09  -0.17    -0.23   0.02   0.17     0.33   0.28   0.54
    12   1     0.20   0.20  -0.23    -0.11  -0.13   0.22    -0.17  -0.32   0.43
    13   1     0.11  -0.04  -0.05    -0.02   0.03   0.03    -0.16  -0.25   0.18
    14   1     0.07  -0.01   0.03    -0.02  -0.02   0.04    -0.05   0.05   0.01
                     13                     14                     15
                      A                      A                      A
 Frequencies --    868.2580               888.5196               946.5034
 Red. masses --      1.6679                 1.9432                 1.8659
 Frc consts  --      0.7408                 0.9039                 0.9849
 IR Inten    --     28.1965                65.2702                50.3315
 RamAct Fr= 1--      3.6752                 3.9748                 2.2741
  Dep-P Fr= 1--      0.1001                 0.1121                 0.4227
  Dep-U Fr= 1--      0.1820                 0.2016                 0.5942
 Alpha2 Fr= 1--      0.0643                 0.0676                 0.0155
 Beta2  Fr= 1--      0.1115                 0.1336                 0.2252
 AlphaG Fr= 1--      0.1112                -0.0580                 0.0143
 Gamma2 Fr= 1--     -0.1361                -0.1943                 0.4978
 Delta2 Fr= 1--     -0.0536                -0.0703                 0.1666
 Raman1 Fr= 1--      14.701                 15.899                  9.096
 ROA1   Fr= 1--     -14.780                -20.905                 53.118
 CID1   Fr= 1--      -1.005                 -1.315                  5.839
 Raman2 Fr= 1--       1.338                  1.603                  2.703
 ROA2   Fr= 1--      -2.837                 -4.101                 10.614
 CID2   Fr= 1--      -2.121                 -2.559                  3.927
 Raman3 Fr= 1--       2.675                  3.206                  5.405
 ROA3   Fr= 1--     -14.780                -20.905                 53.118
 CID3   Fr= 1--      -5.525                 -6.522                  9.827
 RC180  Fr= 1--      -0.636                 -0.597                  0.188
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.05   0.00    -0.05  -0.17  -0.02    -0.04  -0.08  -0.11
     2   6    -0.13  -0.03   0.07     0.01  -0.07   0.09     0.16   0.04   0.05
     3   6     0.03  -0.05  -0.06    -0.01  -0.02  -0.04    -0.03   0.02  -0.04
     4   8     0.04   0.06  -0.08     0.03   0.03   0.01    -0.04  -0.07   0.05
     5   8     0.04   0.01   0.00     0.04   0.02  -0.00    -0.03   0.01   0.01
     6   7    -0.05   0.02  -0.01     0.02   0.17  -0.02    -0.04   0.02   0.07
     7   8     0.01  -0.05   0.05    -0.01  -0.01   0.01    -0.00   0.04  -0.00
     8   1    -0.13   0.04   0.09     0.15   0.11   0.16     0.35  -0.12   0.03
     9   1     0.05   0.12   0.06    -0.02   0.33   0.11    -0.07  -0.12  -0.13
    10   1    -0.02  -0.07  -0.16    -0.13  -0.24  -0.55    -0.12  -0.09  -0.07
    11   1     0.24   0.31   0.71    -0.18  -0.18  -0.45     0.07   0.04   0.22
    12   1     0.02   0.33  -0.04    -0.06  -0.01   0.12     0.07   0.05  -0.30
    13   1     0.25   0.12  -0.15    -0.20  -0.01   0.16     0.21   0.61  -0.39
    14   1    -0.00   0.02  -0.01    -0.11   0.09  -0.02     0.07  -0.06   0.00
                     16                     17                     18
                      A                      A                      A
 Frequencies --   1000.0291              1063.5726              1122.5534
 Red. masses --      1.8744                 5.4881                 2.7569
 Frc consts  --      1.1044                 3.6577                 2.0469
 IR Inten    --     37.9540               129.7682                27.2200
 RamAct Fr= 1--      1.7988                 3.5939                 2.0992
  Dep-P Fr= 1--      0.2180                 0.4389                 0.6308
  Dep-U Fr= 1--      0.3580                 0.6100                 0.7736
 Alpha2 Fr= 1--      0.0233                 0.0230                 0.0045
 Beta2  Fr= 1--      0.1073                 0.3654                 0.2707
 AlphaG Fr= 1--      0.0009                 0.0099                 0.0036
 Gamma2 Fr= 1--     -0.3436                -0.0336                 0.3432
 Delta2 Fr= 1--     -0.3908                -0.2327                 0.6509
 Raman1 Fr= 1--       7.195                 14.376                  8.397
 ROA1   Fr= 1--     -45.491                -10.668                 53.781
 CID1   Fr= 1--      -6.322                 -0.742                  6.405
 Raman2 Fr= 1--       1.288                  4.385                  3.248
 ROA2   Fr= 1--      -5.120                  1.056                  3.031
 CID2   Fr= 1--      -3.975                  0.241                  0.933
 Raman3 Fr= 1--       2.576                  8.770                  6.496
 ROA3   Fr= 1--     -45.491                -10.668                 53.781
 CID3   Fr= 1--     -17.659                 -1.216                  8.279
 RC180  Fr= 1--      -0.284                  0.220                  0.547
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.03  -0.13     0.45  -0.14  -0.04    -0.01  -0.13  -0.06
     2   6    -0.02  -0.01   0.17    -0.05  -0.02  -0.02     0.00   0.29   0.02
     3   6    -0.05  -0.06  -0.07     0.03   0.01  -0.05    -0.08  -0.07  -0.00
     4   8     0.04   0.06  -0.02    -0.01  -0.03   0.02     0.01   0.05  -0.02
     5   8    -0.05   0.01   0.02    -0.33   0.11   0.07    -0.00   0.02   0.01
     6   7     0.06   0.03  -0.04    -0.03   0.02   0.00     0.05  -0.15   0.04
     7   8     0.01  -0.01   0.02    -0.01   0.02  -0.00     0.04  -0.04   0.02
     8   1    -0.22  -0.08   0.12     0.02   0.04  -0.00    -0.21   0.54   0.07
     9   1     0.18  -0.39  -0.20     0.41   0.12   0.04    -0.28   0.13  -0.05
    10   1    -0.13   0.05   0.33     0.42  -0.16  -0.22     0.30  -0.09  -0.23
    11   1     0.04   0.04  -0.06    -0.07  -0.07  -0.01     0.09   0.09  -0.06
    12   1    -0.10  -0.41   0.21     0.06   0.34  -0.11     0.01  -0.34   0.07
    13   1    -0.25   0.09   0.03     0.13  -0.17   0.07    -0.02  -0.09   0.01
    14   1     0.41  -0.17   0.08     0.01  -0.04   0.12    -0.31   0.14  -0.03
                     19                     20                     21
                      A                      A                      A
 Frequencies --   1139.7648              1220.7424              1292.3082
 Red. masses --      1.1438                 2.5959                 1.2424
 Frc consts  --      0.8754                 2.2792                 1.2225
 IR Inten    --     20.6107                13.4988                 8.2541
 RamAct Fr= 1--      3.0951                 6.0065                 5.1128
  Dep-P Fr= 1--      0.1974                 0.5322                 0.3334
  Dep-U Fr= 1--      0.3297                 0.6947                 0.5000
 Alpha2 Fr= 1--      0.0423                 0.0253                 0.0473
 Beta2  Fr= 1--      0.1701                 0.6954                 0.4261
 AlphaG Fr= 1--      0.0083                -0.0316                 0.0726
 Gamma2 Fr= 1--      0.7050                 0.2464                -1.5375
 Delta2 Fr= 1--      0.0941                 0.1778                -0.2579
 Raman1 Fr= 1--      12.380                 24.026                 20.451
 ROA1   Fr= 1--      70.689                 29.345               -155.853
 CID1   Fr= 1--       5.710                  1.221                 -7.621
 Raman2 Fr= 1--       2.041                  8.345                  5.113
 ROA2   Fr= 1--      16.167                  4.491                -34.838
 CID2   Fr= 1--       7.922                  0.538                 -6.813
 Raman3 Fr= 1--       4.082                 16.690                 10.226
 ROA3   Fr= 1--      70.689                 29.345               -155.853
 CID3   Fr= 1--      17.318                  1.758                -15.240
 RC180  Fr= 1--      -0.341                  0.389                  0.000
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.00  -0.02    -0.02  -0.00  -0.05    -0.00   0.02  -0.07
     2   6    -0.01   0.06   0.01    -0.08   0.04   0.11    -0.01  -0.01   0.07
     3   6     0.03   0.02  -0.01     0.22   0.09  -0.16    -0.04  -0.01   0.04
     4   8    -0.01  -0.02   0.01    -0.02  -0.12   0.07     0.00   0.02  -0.01
     5   8    -0.00   0.00  -0.01     0.03  -0.00   0.01     0.01  -0.00   0.01
     6   7    -0.02  -0.05  -0.01     0.01  -0.02  -0.02    -0.02   0.00  -0.05
     7   8    -0.00   0.00  -0.00    -0.05   0.07  -0.01     0.02  -0.03   0.00
     8   1     0.33   0.44   0.18    -0.16   0.04   0.09     0.62  -0.16   0.13
     9   1     0.29  -0.01   0.03    -0.32  -0.11  -0.13    -0.25  -0.16  -0.17
    10   1    -0.32  -0.05  -0.03     0.25   0.06   0.06     0.34   0.11   0.16
    11   1    -0.06  -0.05   0.01    -0.47  -0.38   0.36     0.10   0.08  -0.08
    12   1     0.03   0.25  -0.00    -0.05  -0.04   0.16     0.02   0.30  -0.01
    13   1     0.07  -0.33   0.14    -0.08  -0.13   0.08     0.01  -0.28   0.12
    14   1     0.47  -0.19   0.05    -0.26   0.12  -0.03    -0.25   0.10  -0.03
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1303.6362              1365.4044              1385.9039
 Red. masses --      1.5112                 1.3908                 1.2834
 Frc consts  --      1.5131                 1.5277                 1.4524
 IR Inten    --      1.3487                29.8989                11.0329
 RamAct Fr= 1--      0.6851                 2.5143                 1.0261
  Dep-P Fr= 1--      0.2260                 0.6602                 0.6823
  Dep-U Fr= 1--      0.3686                 0.7953                 0.8112
 Alpha2 Fr= 1--      0.0087                 0.0040                 0.0012
 Beta2  Fr= 1--      0.0421                 0.3333                 0.1387
 AlphaG Fr= 1--     -0.0166                -0.0124                 0.0093
 Gamma2 Fr= 1--      0.5740                -0.3539                -0.9984
 Delta2 Fr= 1--      0.0676                -0.6912                -0.3853
 Raman1 Fr= 1--       2.740                 10.057                  4.104
 ROA1   Fr= 1--      57.261                -56.090               -108.177
 CID1   Fr= 1--      20.896                 -5.577                -26.356
 Raman2 Fr= 1--       0.505                  3.999                  1.665
 ROA2   Fr= 1--      13.234                 -2.963                -20.880
 CID2   Fr= 1--      26.203                 -0.741                -12.543
 Raman3 Fr= 1--       1.010                  7.999                  3.329
 ROA3   Fr= 1--      57.261                -56.090               -108.177
 CID3   Fr= 1--      56.686                 -7.012                -32.491
 RC180  Fr= 1--      -0.263                  0.591                  0.622
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.04   0.02    -0.00   0.04  -0.04    -0.09  -0.05   0.04
     2   6    -0.17   0.02  -0.07     0.02  -0.15  -0.04     0.07  -0.03   0.02
     3   6     0.03   0.02   0.04    -0.03  -0.01   0.02     0.00   0.00  -0.01
     4   8     0.00  -0.01  -0.01     0.02   0.00  -0.01    -0.01  -0.00   0.01
     5   8    -0.00   0.03  -0.01     0.00  -0.01   0.02    -0.02   0.05  -0.04
     6   7     0.06   0.00   0.03    -0.01   0.02   0.04    -0.02   0.01  -0.01
     7   8     0.00  -0.01  -0.01    -0.01   0.02  -0.01    -0.00  -0.00   0.00
     8   1     0.60  -0.10   0.01    -0.02   0.83   0.25    -0.24  -0.00  -0.01
     9   1     0.14   0.11   0.08     0.05  -0.12  -0.08    -0.18   0.15   0.09
    10   1     0.31   0.02   0.01     0.25   0.10   0.11     0.71   0.08   0.11
    11   1    -0.08  -0.06   0.09    -0.08  -0.05   0.06     0.06   0.05  -0.05
    12   1    -0.04  -0.43   0.10    -0.00  -0.09  -0.03     0.01   0.12  -0.02
    13   1    -0.13   0.36  -0.15     0.03   0.18  -0.08     0.02  -0.08   0.03
    14   1     0.22  -0.09   0.01    -0.20   0.08  -0.01     0.51  -0.21   0.02
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1410.4825              1416.2810              1504.1457
 Red. masses --      1.4320                 1.3088                 1.0836
 Frc consts  --      1.6785                 1.5468                 1.4444
 IR Inten    --    329.5136                72.9026                 3.4238
 RamAct Fr= 1--      3.0348                 2.2049                 3.9693
  Dep-P Fr= 1--      0.5400                 0.1906                 0.7377
  Dep-U Fr= 1--      0.7013                 0.3202                 0.8490
 Alpha2 Fr= 1--      0.0123                 0.0307                 0.0008
 Beta2  Fr= 1--      0.3547                 0.1177                 0.5617
 AlphaG Fr= 1--      0.0203                -0.0304                 0.0010
 Gamma2 Fr= 1--     -0.4683                 0.8794                 0.0335
 Delta2 Fr= 1--     -0.2717                 0.3534                -0.1224
 Raman1 Fr= 1--      12.139                  8.819                 15.877
 ROA1   Fr= 1--     -53.645                 95.735                 -0.701
 CID1   Fr= 1--      -4.419                 10.855                 -0.044
 Raman2 Fr= 1--       4.257                  1.412                  6.740
 ROA2   Fr= 1--      -9.065                 18.280                  1.783
 CID2   Fr= 1--      -2.130                 12.946                  0.265
 Raman3 Fr= 1--       8.513                  2.824                 13.481
 ROA3   Fr= 1--     -53.645                 95.735                 -0.701
 CID3   Fr= 1--      -6.301                 33.901                 -0.052
 RC180  Fr= 1--       0.403                 -0.360                  0.698
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.02   0.03    -0.08  -0.02  -0.07     0.04  -0.04  -0.05
     2   6    -0.06  -0.04   0.01     0.01   0.01   0.00    -0.01  -0.01  -0.00
     3   6     0.09   0.05  -0.06     0.06   0.04  -0.05    -0.00   0.00  -0.00
     4   8    -0.08  -0.01   0.04    -0.05  -0.01   0.03     0.00   0.00   0.00
     5   8     0.00   0.00  -0.02     0.01  -0.01   0.04     0.01  -0.00  -0.01
     6   7     0.02  -0.01   0.01     0.00  -0.01  -0.00     0.00   0.00   0.00
     7   8    -0.00  -0.04   0.02    -0.00  -0.03   0.01     0.00   0.00  -0.00
     8   1     0.03   0.20   0.09    -0.09  -0.05  -0.03     0.03   0.06   0.02
     9   1    -0.45  -0.15  -0.10     0.73   0.17   0.12    -0.28   0.64   0.09
    10   1    -0.14  -0.04  -0.13     0.19   0.07   0.21    -0.25  -0.00   0.66
    11   1     0.53   0.40  -0.40     0.30   0.22  -0.25    -0.00  -0.00  -0.01
    12   1     0.01  -0.05   0.00     0.01   0.03   0.00     0.00   0.01  -0.00
    13   1    -0.03   0.13  -0.06    -0.02   0.00  -0.00    -0.01   0.02  -0.00
    14   1     0.12  -0.06  -0.01    -0.30   0.13   0.01     0.01  -0.01  -0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1664.9378              1838.8079              3017.3318
 Red. masses --      1.0873                 9.5554                 1.0839
 Frc consts  --      1.7758                19.0359                 5.8140
 IR Inten    --     38.6148               320.2678                20.2737
 RamAct Fr= 1--      3.4587                13.5989               105.4968
  Dep-P Fr= 1--      0.6190                 0.2821                 0.1913
  Dep-U Fr= 1--      0.7647                 0.4400                 0.3211
 Alpha2 Fr= 1--      0.0083                 0.1471                 1.4661
 Beta2  Fr= 1--      0.4408                 0.9973                 5.6457
 AlphaG Fr= 1--     -0.0121                -0.0517                -0.1443
 Gamma2 Fr= 1--     -0.6578                -0.1551                 2.8043
 Delta2 Fr= 1--     -0.3218                -0.0085                 3.5402
 Raman1 Fr= 1--      13.835                 54.396                421.987
 ROA1   Fr= 1--     -73.443                -15.159                382.502
 CID1   Fr= 1--      -5.309                 -0.279                  0.906
 Raman2 Fr= 1--       5.289                 11.967                 67.749
 ROA2   Fr= 1--     -13.212                 -3.653                 38.982
 CID2   Fr= 1--      -2.498                 -0.305                  0.575
 Raman3 Fr= 1--      10.579                 23.934                135.498
 ROA3   Fr= 1--     -73.443                -15.159                382.502
 CID3   Fr= 1--      -6.942                 -0.633                  2.823
 RC180  Fr= 1--       0.529                 -0.120                 -0.358
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00  -0.00     0.01   0.01   0.01    -0.00  -0.00   0.01
     2   6    -0.02  -0.00   0.02     0.03  -0.04  -0.00     0.01   0.02  -0.08
     3   6     0.01   0.01  -0.01    -0.31   0.62  -0.16    -0.00   0.00  -0.00
     4   8    -0.00  -0.00   0.00     0.05  -0.05   0.00    -0.00   0.00   0.00
     5   8     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     6   7    -0.03   0.07   0.01     0.00  -0.01   0.00     0.00   0.00   0.00
     7   8    -0.00  -0.00   0.00     0.19  -0.38   0.10     0.00  -0.00   0.00
     8   1     0.02  -0.03   0.02    -0.13   0.08  -0.02    -0.14  -0.28   0.93
     9   1    -0.00   0.01  -0.00    -0.02  -0.01   0.00     0.02   0.04  -0.13
    10   1     0.01   0.01   0.02    -0.06   0.01  -0.02    -0.01   0.02  -0.00
    11   1     0.03   0.02  -0.00    -0.38  -0.22   0.26     0.00  -0.01   0.00
    12   1    -0.01  -0.56  -0.45    -0.00  -0.01   0.04     0.00   0.00   0.00
    13   1     0.57  -0.37   0.10    -0.01   0.02  -0.01    -0.01  -0.00  -0.01
    14   1     0.00  -0.01  -0.00     0.01   0.01   0.01    -0.00  -0.00   0.00
                     31                     32                     33
                      A                      A                      A
 Frequencies --   3051.3121              3100.6237              3443.7340
 Red. masses --      1.0571                 1.1098                 1.0640
 Frc consts  --      5.7989                 6.2865                 7.4347
 IR Inten    --     19.8589                16.5230               247.8112
 RamAct Fr= 1--     84.7545                34.3262                73.4037
  Dep-P Fr= 1--      0.0489                 0.7494                 0.0800
  Dep-U Fr= 1--      0.0933                 0.8568                 0.1482
 Alpha2 Fr= 1--      1.6784                 0.0003                 1.3492
 Beta2  Fr= 1--      1.3183                 4.9016                 1.8130
 AlphaG Fr= 1--     -0.1214                -0.0037                 0.0751
 Gamma2 Fr= 1--      0.1622                -3.2281                -1.6055
 Delta2 Fr= 1--      1.2356                -2.6642                -1.8461
 Raman1 Fr= 1--     339.018                137.305                293.615
 ROA1   Fr= 1--      55.108               -395.154               -213.201
 CID1   Fr= 1--       0.163                 -2.878                 -0.726
 Raman2 Fr= 1--      15.820                 58.819                 21.756
 ROA2   Fr= 1--      -5.993                -56.161                -23.763
 CID2   Fr= 1--      -0.379                 -0.955                 -1.092
 Raman3 Fr= 1--      31.640                117.639                 43.513
 ROA3   Fr= 1--      55.108               -395.154               -213.201
 CID3   Fr= 1--       1.742                 -3.359                 -4.900
 RC180  Fr= 1--      -0.813                  0.714                 -0.704
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.05  -0.05     0.00   0.07  -0.06    -0.00  -0.00  -0.00
     2   6     0.00   0.00  -0.01     0.00   0.00  -0.01     0.00   0.00  -0.00
     3   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.01   0.00
     4   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.04  -0.05   0.00
     5   8     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     6   7     0.00   0.00   0.00     0.00  -0.00   0.00     0.01  -0.01  -0.00
     7   8    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     8   1    -0.01  -0.02   0.07    -0.01  -0.03   0.11     0.00  -0.01   0.01
     9   1    -0.11  -0.18   0.63    -0.11  -0.18   0.70    -0.00   0.00   0.00
    10   1    -0.12   0.72  -0.09     0.11  -0.66   0.07    -0.00  -0.00  -0.00
    11   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.58   0.79  -0.11
    12   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.13   0.02  -0.03
    13   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.02   0.04   0.07
    14   1     0.00   0.00  -0.01    -0.01   0.01  -0.02     0.00   0.00   0.00
                     34                     35                     36
                      A                      A                      A
 Frequencies --   3497.5871              3570.1918              3795.9027
 Red. masses --      1.0501                 1.0935                 1.0663
 Frc consts  --      7.5686                 8.2123                 9.0522
 IR Inten    --      2.8299                19.2573                35.8904
 RamAct Fr= 1--     91.4598                39.7571                72.6541
  Dep-P Fr= 1--      0.0763                 0.6906                 0.1677
  Dep-U Fr= 1--      0.1417                 0.8170                 0.2872
 Alpha2 Fr= 1--      1.6964                 0.0414                 1.0735
 Beta2  Fr= 1--      2.1605                 5.4135                 3.4780
 AlphaG Fr= 1--     -0.2302                 0.0457                 0.4197
 Gamma2 Fr= 1--      4.3684                -6.9308                 2.1088
 Delta2 Fr= 1--      3.8248                -1.2830                 0.4920
 Raman1 Fr= 1--     365.839                159.028                290.616
 ROA1   Fr= 1--     541.756               -706.410                218.184
 CID1   Fr= 1--       1.481                 -4.442                  0.751
 Raman2 Fr= 1--      25.926                 64.962                 41.736
 ROA2   Fr= 1--      74.242               -156.075                 46.674
 CID2   Fr= 1--       2.864                 -2.403                  1.118
 Raman3 Fr= 1--      51.852                129.925                 83.471
 ROA3   Fr= 1--     541.756               -706.410                218.184
 CID3   Fr= 1--      10.448                 -5.437                  2.614
 RC180  Fr= 1--      -0.717                  0.634                 -0.426
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     2   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     3   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     4   8     0.01  -0.01   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     5   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.02   0.03  -0.05
     6   7    -0.04   0.03   0.02    -0.05  -0.02  -0.06    -0.00   0.00  -0.00
     7   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     8   1     0.00  -0.00  -0.01    -0.00  -0.00   0.01     0.00   0.00  -0.00
     9   1    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.01   0.01
    10   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    11   1    -0.09   0.12  -0.01    -0.01   0.02  -0.00     0.00   0.00  -0.00
    12   1     0.73  -0.13   0.21     0.59  -0.11   0.14     0.00   0.00   0.00
    13   1    -0.16  -0.32  -0.50     0.17   0.41   0.65     0.00   0.00   0.00
    14   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.29  -0.43   0.85

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  8 and mass  15.99491
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  7 and mass  14.00307
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Molecular mass:   105.04259 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   400.92143 988.456541232.67619
           X            0.99980   0.01890  -0.00715
           Y           -0.01871   0.99950   0.02538
           Z            0.00762  -0.02525   0.99965
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Rotational temperatures (Kelvin)      0.21604     0.08763     0.07026
 Rotational constants (GHZ):           4.50148     1.82582     1.46408
 Zero-point vibrational energy     298478.3 (Joules/Mol)
                                   71.33803 (Kcal/Mol)
 Warning -- explicit consideration of   9 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    119.11   186.11   276.71   449.65   461.50
          (Kelvin)            490.99   523.79   625.90   816.02   953.07
                             1050.05  1231.11  1249.23  1278.38  1361.81
                             1438.82  1530.24  1615.10  1639.87  1756.38
                             1859.34  1875.64  1964.51  1994.01  2029.37
                             2037.71  2164.13  2395.47  2645.63  4341.27
                             4390.16  4461.11  4954.77  5032.25  5136.71
                             5461.46
 
 Zero-point correction=                           0.113684 (Hartree/Particle)
 Thermal correction to Energy=                    0.121153
 Thermal correction to Enthalpy=                  0.122097
 Thermal correction to Gibbs Free Energy=         0.081937
 Sum of electronic and zero-point Energies=           -399.040194
 Sum of electronic and thermal Energies=              -399.032725
 Sum of electronic and thermal Enthalpies=            -399.031781
 Sum of electronic and thermal Free Energies=         -399.071941
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   76.025             26.614             84.526
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             39.865
 Rotational               0.889              2.981             27.682
 Vibrational             74.247             20.653             16.979
 Vibration     1          0.600              1.961              3.824
 Vibration     2          0.612              1.924              2.956
 Vibration     3          0.634              1.851              2.205
 Vibration     4          0.701              1.650              1.349
 Vibration     5          0.706              1.634              1.306
 Vibration     6          0.721              1.593              1.206
 Vibration     7          0.738              1.546              1.105
 Vibration     8          0.796              1.394              0.842
 Vibration     9          0.923              1.102              0.510
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.205045D-37        -37.688150        -86.780173
 Total V=0       0.400859D+15         14.602991         33.624630
 Vib (Bot)       0.193673D-50        -50.712931       -116.770839
 Vib (Bot)    1  0.248665D+01          0.395615          0.910936
 Vib (Bot)    2  0.157632D+01          0.197645          0.455093
 Vib (Bot)    3  0.103975D+01          0.016929          0.038980
 Vib (Bot)    4  0.604172D+00         -0.218840         -0.503897
 Vib (Bot)    5  0.585789D+00         -0.232259         -0.534796
 Vib (Bot)    6  0.543689D+00         -0.264650         -0.609379
 Vib (Bot)    7  0.502110D+00         -0.299201         -0.688936
 Vib (Bot)    8  0.398951D+00         -0.399080         -0.918916
 Vib (Bot)    9  0.272118D+00         -0.565242         -1.301519
 Vib (V=0)       0.378626D+02          1.578211          3.633964
 Vib (V=0)    1  0.303642D+01          0.482362          1.110679
 Vib (V=0)    2  0.215372D+01          0.333189          0.767196
 Vib (V=0)    3  0.165372D+01          0.218463          0.503030
 Vib (V=0)    4  0.128423D+01          0.108644          0.250163
 Vib (V=0)    5  0.127016D+01          0.103859          0.239144
 Vib (V=0)    6  0.123865D+01          0.092947          0.214019
 Vib (V=0)    7  0.120860D+01          0.082283          0.189463
 Vib (V=0)    8  0.113966D+01          0.056774          0.130728
 Vib (V=0)    9  0.106925D+01          0.029080          0.066960
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.423157D+08          7.626502         17.560670
 Rotational      0.250195D+06          5.398279         12.429996
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3       3 3 3           33 3                                      1     1    1 111111  1 11 1 1                                 
     7       5 4 4           10 0                                      8     6    5 443332  2 11 0 0 9888   7 6   5   43333   1 1    
     9       7 9 4           05 1                                      3     6    0 118609  2 42 6 0 4865   3 6   6   36421   9 2 8  
     6       0 8 4           11 7                                      9     5    4 606542  1 03 4 0 7986   0 2   7   54113   2 9 3  
 
     X       X X X           XX X                                      X     X    X XXXXXX  X XX X X XXXX   X X   X   XXXXX   X X X  
     X           X                                                     X     X      XX X       X X X XXXX             XX X           
                 X                                                     X            XX           X   XX X              X X           
                 X                                                     X            XX           X    X X                            
                 X                                                     X             X           X                                   
                 X                                                     X             X           X                                   
                 X                                                     X             X           X                                   
                 X                                                     X             X           X                                   
                 X                                                     X             X                                               
                 X                                                     X             X                                               
                 X                                                     X             X                                               
                 X                                                     X             X                                               
                 X                                                     X             X                                               
                 X                                                     X             X                                               
                 X                                                     X             X                                               
                                                                       X             X                                               
                                                                       X             X                                               
                                                                       X             X                                               
                                                                       X             X                                               
                                                                                     X                                               
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000001856   -0.000003788    0.000005794
      2        6          -0.000016038   -0.000006050   -0.000010356
      3        6           0.000010476    0.000014807   -0.000019407
      4        8          -0.000016047   -0.000015316    0.000014693
      5        8           0.000014336    0.000008169   -0.000001392
      6        7           0.000028371    0.000021460    0.000019170
      7        8          -0.000001014   -0.000005271    0.000004152
      8        1           0.000007017    0.000002350    0.000007498
      9        1          -0.000007104   -0.000007777   -0.000004558
     10        1          -0.000004017   -0.000004428   -0.000000720
     11        1          -0.000000538    0.000007429    0.000000216
     12        1          -0.000004693   -0.000004192   -0.000006430
     13        1          -0.000008458    0.000001577   -0.000002304
     14        1          -0.000000436   -0.000008972   -0.000006356
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000028371 RMS     0.000010276
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.654410D+02 -0.175960D+01 -0.211113D+01
      2  -0.175960D+01  0.626677D+02 -0.273828D+01
      3  -0.211113D+01 -0.273828D+01  0.513099D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.272289D+01  0.779502D+00 -0.106872D+01
      2  -0.223323D+01 -0.578109D+01 -0.102092D+02
      3   0.666200D+01 -0.206247D+01  0.376843D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.300818D+02 -0.134994D+02 -0.842078D+01
      2   0.190369D+02  0.102585D+02  0.417492D+01
      3   0.110449D+02  0.324085D+01  0.424586D+01
      4  -0.104984D+02  0.780411D+01 -0.156732D+02
      5  -0.116763D+01 -0.165623D+02 -0.165788D+02
      6  -0.693296D+01  0.971902D+01  0.566537D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.120825D+01 -0.108646D+01 -0.741987D+00 -0.327978D+01 -0.193959D+01
      2  -0.108646D+01 -0.235068D+01 -0.451021D+00 -0.193959D+01  0.473307D+01
      3  -0.741987D+00 -0.451021D+00 -0.209758D+01 -0.637537D+00 -0.260620D+00
                 6             7             8             9            10 
      1  -0.637537D+00 -0.283914D+01 -0.460930D+00 -0.172170D+01  0.404627D+00
      2  -0.260620D+00 -0.460930D+00 -0.105837D+01 -0.132466D+01  0.165764D+01
      3  -0.180099D+01 -0.172170D+01 -0.132466D+01  0.548145D+01  0.171877D+01
                11            12            13            14            15 
      1   0.165764D+01  0.171877D+01  0.280317D+01  0.125360D+01  0.374016D+00
      2   0.148491D+01  0.138342D+00  0.125360D+01 -0.217683D+01 -0.619601D+00
      3   0.138342D+00  0.111277D+01  0.374016D+00 -0.619601D+00  0.231500D+01
                16            17            18            19            20 
      1   0.268997D+01 -0.152516D+00  0.160866D+01  0.872862D+00 -0.755044D-01
      2  -0.152516D+00 -0.271805D+00  0.312002D+01 -0.755044D-01 -0.199863D+01
      3   0.160866D+01  0.312002D+01 -0.550619D+01 -0.106353D+01  0.127111D+01
                21            22            23            24            25 
      1  -0.106353D+01  0.206663D+01 -0.283279D+01  0.130433D+01  0.153398D-01
      2   0.127111D+01 -0.283279D+01  0.441024D+01 -0.721166D+00  0.178236D+01
      3  -0.189071D-01  0.130433D+01 -0.721166D+00  0.130967D+00 -0.295028D+00
                26            27            28            29            30 
      1   0.178236D+01 -0.295028D+00  0.621281D+01  0.100512D+01 -0.210620D+01
      2  -0.671027D+00 -0.430789D+00  0.100512D+01  0.298676D+01 -0.534604D+00
      3  -0.430789D+00  0.638926D+00 -0.210620D+01 -0.534604D+00  0.146591D+01
                31            32            33            34            35 
      1  -0.154426D+01  0.346081D+01  0.393304D+00 -0.170177D+01 -0.900916D+00
      2   0.346081D+01  0.394888D+00 -0.664300D+00 -0.900916D+00 -0.387400D+00
      3   0.393304D+00 -0.664300D+00  0.180910D+00  0.150921D+01  0.136048D+01
                36            37            38            39            40 
      1   0.150921D+01 -0.679977D+01  0.382909D+00 -0.155582D+01  0.245387D+01
      2   0.136048D+01  0.382909D+00 -0.164185D+00 -0.410995D+00 -0.619898D+00
      3  -0.282551D+01 -0.155582D+01 -0.410995D+00  0.942998D+00 -0.614197D+00
                41            42            43            44            45 
      1  -0.619898D+00 -0.614197D+00 -0.289084D+01 -0.680349D+00  0.423545D+00
      2   0.849051D+00 -0.602260D+00 -0.680349D+00 -0.122277D+01  0.127875D+01
      3  -0.602260D+00  0.188934D+01  0.423545D+00  0.127875D+01 -0.376600D+01
                46            47            48            49            50 
      1   0.396581D+01 -0.494180D+00 -0.202975D-01 -0.347928D+00 -0.349195D+00
      2  -0.494180D+00  0.413490D+00 -0.252124D-01 -0.349195D+00  0.306504D+01
      3  -0.202975D-01 -0.252124D-01 -0.101477D+01 -0.417368D+00 -0.123646D+01
                51            52            53            54            55 
      1  -0.417368D+00 -0.757315D-01 -0.372845D+00 -0.109869D+01  0.478262D+01
      2  -0.123646D+01 -0.372845D+00 -0.300152D+01 -0.188161D+01 -0.385127D+01
      3  -0.179369D+01 -0.109869D+01 -0.188161D+01 -0.210377D+01  0.142288D+01
                56            57            58            59            60 
      1  -0.385127D+01  0.142288D+01 -0.518744D+01  0.365388D+01 -0.661095D+00
      2   0.332804D+01 -0.104751D+01  0.365388D+01 -0.107141D+02  0.169416D+01
      3  -0.104751D+01  0.107869D+01 -0.661095D+00  0.169416D+01 -0.235202D+01
                61            62            63            64            65 
      1   0.123200D+01 -0.730456D+00  0.191969D+01 -0.522761D+00 -0.692379D+00
      2  -0.730456D+00  0.120870D+01 -0.284754D+01 -0.692379D+00 -0.561538D+00
      3   0.191969D+01 -0.284754D+01  0.215222D+01  0.103994D+01  0.655523D-01
                66            67            68            69            70 
      1   0.103994D+01 -0.122048D+01 -0.585464D+00  0.190879D+00  0.131134D+01
      2   0.655523D-01 -0.585464D+00 -0.118044D+01  0.158414D+01  0.192805D+00
      3  -0.103992D+01  0.190879D+00  0.158414D+01 -0.194726D+01 -0.838932D+00
                71            72            73            74            75 
      1   0.192805D+00 -0.838932D+00  0.503186D-01  0.350466D+00 -0.881630D+00
      2   0.228840D+01 -0.188522D+01  0.350466D+00  0.327700D+00  0.110580D+00
      3  -0.188522D+01  0.757736D+01 -0.881630D+00  0.110580D+00  0.981969D+00
                76            77            78            79            80 
      1   0.118791D+01  0.364133D+00  0.996424D-01 -0.152849D+01 -0.100461D+00
      2   0.364133D+00  0.161576D+00 -0.933614D+00 -0.100461D+00 -0.126359D+01
      3   0.996424D-01 -0.933614D+00  0.158908D+01  0.161962D+00  0.159488D+00
                81            82            83            84            85 
      1   0.161962D+00  0.695784D+00 -0.956460D+00  0.138907D+00 -0.154417D+01
      2   0.159488D+00 -0.956460D+00  0.953773D+00  0.223545D+00  0.498524D+00
      3  -0.756748D+01  0.138907D+00  0.223545D+00  0.425870D+00  0.601996D-01
                86            87            88            89            90 
      1   0.498524D+00  0.601996D-01  0.847832D+00  0.101026D+00  0.281830D+00
      2  -0.772937D+01 -0.560054D+00  0.101026D+00  0.515201D+00 -0.858885D+00
      3  -0.560054D+00 -0.102286D+01  0.281830D+00 -0.858885D+00 -0.402553D+00
                91            92            93            94            95 
      1  -0.273490D+01  0.168402D+01  0.945589D+00  0.355334D+01 -0.530471D+00
      2   0.168402D+01 -0.126127D+01 -0.732359D-03 -0.530471D+00  0.400327D+01
      3   0.945589D+00 -0.732359D-03 -0.380899D+00 -0.968008D+00 -0.885462D+00
                96            97            98            99           100 
      1  -0.968008D+00  0.119606D+00 -0.129561D+00  0.233564D+00 -0.611117D+01
      2  -0.885462D+00 -0.129561D+00 -0.893118D+00  0.802471D+00  0.196782D+01
      3   0.143957D+01  0.233564D+00  0.802471D+00 -0.138176D+01 -0.648658D+00
               101           102           103           104           105 
      1   0.196782D+01 -0.648658D+00  0.179666D+01 -0.149187D+01 -0.108724D+00
      2  -0.317741D+01 -0.899758D-01 -0.149187D+01  0.129861D+01  0.101915D-01
      3  -0.899758D-01 -0.116216D+01 -0.108724D+00  0.101915D-01  0.505397D+00
               106           107           108           109           110 
      1  -0.155482D+01  0.173293D+00 -0.307391D+00  0.478882D+00  0.694377D+00
      2   0.173293D+00 -0.516696D+00  0.512799D+00  0.694377D+00  0.810349D+00
      3  -0.307391D+00  0.512799D+00 -0.354990D+00  0.460152D+00  0.368761D+00
               111           112           113           114           115 
      1   0.460152D+00  0.793749D+00  0.163762D+00  0.545845D-01  0.896888D+00
      2   0.368761D+00  0.163762D+00  0.393348D+01  0.222442D+01  0.330137D+00
      3   0.129371D+01  0.545845D-01  0.222442D+01  0.265088D+01  0.582973D+00
               116           117           118           119           120 
      1   0.330137D+00  0.582973D+00 -0.250336D+01 -0.586091D+00  0.129188D+01
      2   0.370008D+01  0.324713D+01 -0.586091D+00 -0.791302D+00  0.382159D+00
      3   0.324713D+01  0.384716D+01  0.129188D+01  0.382159D+00 -0.158768D+01
               121           122           123           124           125 
      1  -0.153127D+01 -0.104543D+01  0.929970D+00  0.347781D+01  0.948414D+00
      2  -0.104543D+01 -0.104851D+01  0.970622D+00  0.948414D+00  0.157391D+01
      3   0.929970D+00  0.970622D+00 -0.178431D+01 -0.245971D+01 -0.125243D+01
               126 
      1  -0.245971D+01
      2  -0.125243D+01
      3   0.421115D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.565805D+00  0.109508D+01 -0.104049D+01 -0.907854D+00 -0.554019D+01
      2   0.519820D+00  0.901278D-03  0.121218D+01  0.116874D+01 -0.819123D+00
      3  -0.207139D+01  0.124403D+01  0.584668D+00  0.437127D+01  0.694574D+01
                 6             7             8             9            10 
      1  -0.373911D+01 -0.910902D+00  0.127446D+01  0.563410D+01  0.505934D+00
      2   0.129870D+01 -0.237591D+01  0.287094D+00 -0.634843D+01  0.647458D+01
      3   0.847627D+00  0.121842D+01 -0.289528D+00  0.114789D-01 -0.101086D+01
                11            12            13            14            15 
      1   0.148551D+00 -0.201029D+00 -0.244184D+01 -0.103180D+01  0.150602D+01
      2   0.433120D+00  0.343769D+01 -0.155647D+01 -0.222656D+00 -0.540366D+00
      3  -0.628322D+01 -0.139022D+01 -0.360107D+00 -0.198375D+01  0.191253D+01
                16            17            18            19            20 
      1   0.527436D+00  0.354476D+01  0.233612D+00  0.177418D+01  0.137646D+01
      2  -0.485924D+01  0.302995D+00  0.131399D+01 -0.910582D+01 -0.907605D+00
      3  -0.798921D+00 -0.949886D-01 -0.409434D-01  0.659841D+01  0.159956D+01
                21            22            23            24            25 
      1  -0.282077D+01  0.222277D+01  0.624515D+01  0.490256D+01  0.524034D+00
      2  -0.377141D+01 -0.403377D+01 -0.606779D+00  0.377144D+01 -0.133155D+02
      3   0.307402D+00  0.448986D+01 -0.994792D+01 -0.164456D+01  0.311222D+01
                26            27            28            29            30 
      1   0.633388D+01 -0.677517D+01  0.235480D+01 -0.457726D+01 -0.255657D+01
      2   0.142603D+01  0.485153D+01  0.372960D+01 -0.278398D+01  0.623999D+01
      3  -0.174428D+01 -0.112524D+01  0.678259D+01 -0.129979D+02 -0.418760D+00
                31            32            33            34            35 
      1  -0.440814D+01  0.153400D+01 -0.265558D+01 -0.122032D+01  0.289343D+01
      2  -0.898673D+00  0.900217D+00  0.160275D+00  0.262811D+01  0.151679D+01
      3  -0.845254D+01  0.434562D+01  0.277041D+01 -0.186890D+01  0.146167D+01
                36            37            38            39            40 
      1   0.226304D+01 -0.537706D+00  0.810942D-01 -0.251888D+00  0.145127D+01
      2  -0.604862D+01  0.166935D+01  0.201685D+01  0.296071D+01  0.166327D+01
      3  -0.160821D+01  0.655224D+01 -0.750440D+01 -0.182478D+01  0.173438D+01
                41            42            43            44            45 
      1   0.514082D+00 -0.199720D+01 -0.106594D+01  0.180394D+01 -0.212724D+01
      2   0.153605D+01 -0.522808D+01 -0.692076D+01 -0.371965D+01  0.112855D+02
      3   0.477385D+01 -0.200940D+01 -0.164859D+01 -0.367554D+01  0.391909D+01
                46            47            48            49            50 
      1  -0.136498D+01  0.418463D+00  0.184058D+01  0.112162D+01  0.619182D+01
      2  -0.544956D+00 -0.220707D+00  0.327102D+01  0.334571D-01  0.504965D+00
      3   0.110804D+02 -0.648925D+01  0.110341D+01  0.383219D+01  0.638775D+00
                51            52            53            54            55 
      1  -0.189623D+01  0.144849D+01  0.858543D+01  0.548962D+01 -0.773783D+00
      2   0.763599D+00 -0.331759D+01  0.663952D+00  0.206595D+00  0.133451D+01
      3  -0.122723D+01  0.126240D+01 -0.738830D+00 -0.261044D+01 -0.107042D+01
                56            57            58            59            60 
      1   0.109812D+01  0.422394D+01  0.123757D+00 -0.277644D+01 -0.891047D+01
      2  -0.429671D+00  0.603430D+01  0.386984D+01  0.195622D+01 -0.573502D+01
      3  -0.722858D+01  0.121208D+01  0.517404D+01  0.165580D+02 -0.174385D+01
                61            62            63            64            65 
      1  -0.201849D+00  0.205751D+01  0.234411D+01 -0.110642D+00 -0.611803D+00
      2   0.180970D+01 -0.424960D+01  0.201159D+01  0.406829D-01  0.658468D-01
      3  -0.928721D+00 -0.121615D+01  0.449211D+01 -0.669533D+00 -0.436274D+00
                66            67            68            69            70 
      1  -0.187987D+00  0.204227D+00 -0.118255D+01 -0.575285D+00 -0.268482D+00
      2   0.796337D+00  0.871403D+00  0.138541D+00  0.606540D+00 -0.299433D+01
      3   0.358459D+00  0.200383D+01 -0.136484D+00 -0.696129D-01 -0.837431D+00
                71            72            73            74            75 
      1   0.358532D+01  0.102173D+01 -0.137945D+01 -0.649045D+00  0.435390D+00
      2   0.348122D+00 -0.107157D+01  0.174307D+01  0.244762D+00 -0.680355D+00
      3   0.918058D+00 -0.942284D-01  0.149044D+00 -0.817761D+00  0.601042D+00
                76            77            78            79            80 
      1  -0.413065D+00 -0.115994D+01  0.989498D+00  0.258405D+00  0.355311D+01
      2   0.105899D+01  0.139655D+01 -0.167163D+01 -0.405916D+01 -0.444796D+00
      3   0.350483D+00  0.237373D-01 -0.107025D+01  0.688290D+00 -0.100483D+01
                81            82            83            84            85 
      1  -0.611916D+01  0.132268D+01 -0.301864D+00  0.619477D+00 -0.282045D+00
      2   0.814694D+01  0.350747D+00 -0.505817D+00  0.455252D+00 -0.909368D+00
      3  -0.719433D-01 -0.322122D+01  0.130415D+01 -0.323346D+00  0.537408D+01
                86            87            88            89            90 
      1   0.425185D+01 -0.323342D+01  0.386903D+00 -0.313395D+00  0.151044D+00
      2   0.132773D+01  0.822935D+00 -0.882800D+00  0.771914D+00  0.518381D+00
      3  -0.813883D+01 -0.672837D+00 -0.120596D+01  0.245313D+00 -0.112319D+01
                91            92            93            94            95 
      1  -0.362499D+01  0.385501D+01  0.301379D+00  0.421805D+01 -0.300561D+01
      2  -0.370255D+01  0.263845D+01 -0.167754D+01  0.187345D+01 -0.304681D+01
      3  -0.859659D+01  0.861110D+01  0.133674D+01  0.104627D+02 -0.108762D+02
                96            97            98            99           100 
      1  -0.207755D+01 -0.392905D-01  0.783901D+00  0.125150D+01  0.229627D+01
      2   0.211151D+01 -0.189310D+01  0.176495D+01 -0.137746D+00  0.896071D+00
      3  -0.571234D+00  0.862355D+00  0.292440D-01 -0.730309D+00 -0.135736D+02
               101           102           103           104           105 
      1  -0.904454D+00  0.285566D+01 -0.262227D-01  0.790616D+00 -0.966809D+00
      2  -0.358689D+00  0.211649D+01  0.125534D-01  0.412173D+00 -0.799678D+00
      3  -0.664247D+00 -0.154964D+01  0.202513D+01 -0.215719D+01 -0.603353D+00
               106           107           108           109           110 
      1   0.425590D+00 -0.232840D+00  0.889440D+00 -0.243961D+00 -0.890320D+00
      2  -0.455126D+00 -0.522331D+00  0.335933D+00 -0.388364D+00 -0.101941D+00
      3  -0.359232D+01 -0.426831D-01  0.127334D+00  0.968614D+00  0.715962D+00
               111           112           113           114           115 
      1  -0.276867D+01  0.977214D-01 -0.317461D+01 -0.573180D+01 -0.894056D+00
      2  -0.175928D+00 -0.595507D+00 -0.743703D+00 -0.845963D+00 -0.194693D+01
      3   0.314305D+00  0.278137D+01  0.118712D+01  0.549375D+00  0.220696D+01
               116           117           118           119           120 
      1  -0.391689D+01 -0.740188D+01  0.347461D+00 -0.138036D+00 -0.449025D+00
      2  -0.973520D+00 -0.881537D+00 -0.407221D+01 -0.146080D+01  0.543606D+01
      3   0.146657D+01  0.207197D+01 -0.103787D+01 -0.238719D+01  0.105771D+01
               121           122           123           124           125 
      1   0.952180D-01 -0.287097D+00 -0.126942D+01  0.150238D+00  0.138141D+01
      2  -0.255794D+01 -0.273339D+01  0.528575D+01  0.586264D+01  0.370769D+01
      3  -0.106664D+01 -0.211210D+01  0.247698D+01  0.153020D+01  0.468597D+01
               126 
      1   0.177617D+01
      2  -0.131271D+02
      3  -0.321747D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.192791D+02 -0.232807D+01 -0.238794D+01  0.409684D+01  0.145306D+02
      2   0.900833D+01  0.413864D+01 -0.103264D+01 -0.320890D+00 -0.191164D+02
      3   0.102707D+02 -0.181057D+01  0.342058D+01 -0.377595D+01  0.458586D+01
      4   0.338632D-01 -0.153625D+01  0.935449D+00  0.816131D+01 -0.569734D+01
      5  -0.140957D+01  0.258981D+00 -0.250301D+01  0.161927D+01  0.968656D+00
      6   0.241868D+01  0.228268D+01  0.210073D+01  0.151516D+01 -0.207245D+00
                 6             7             8             9            10 
      1  -0.291590D+00  0.406770D+01 -0.661654D+00  0.119933D+02 -0.277870D+01
      2  -0.241906D+01 -0.252017D+01 -0.836459D+00  0.315573D+01  0.336177D+01
      3   0.271065D+01 -0.154753D+01  0.149811D+01 -0.151491D+02 -0.583078D+00
      4   0.697698D+00  0.435251D+01  0.279763D+01  0.521987D+01 -0.348175D+01
      5   0.302975D+01  0.522912D+01  0.224572D+01 -0.987648D+01  0.915512D+00
      6   0.269052D+01  0.245028D+01  0.162066D+01 -0.175855D+01 -0.117812D+01
                11            12            13            14            15 
      1  -0.173094D+01 -0.426044D+00  0.417345D+00  0.498575D+01 -0.456943D+01
      2   0.345316D+01 -0.111815D+01  0.124277D+01 -0.443283D+01 -0.289793D+01
      3  -0.172222D+01  0.154419D+01 -0.166011D+01 -0.552925D+00  0.746736D+01
      4   0.336622D+01 -0.251374D+01 -0.774070D+01 -0.496330D-01  0.203694D+01
      5  -0.797382D+00  0.251540D+01 -0.900669D-01  0.167489D+01 -0.120137D+01
      6  -0.201195D+01  0.215976D+00  0.273550D+01  0.922019D+00 -0.933513D+01
                16            17            18            19            20 
      1  -0.425901D+01 -0.328145D+01  0.260377D+01 -0.262901D+01 -0.587378D+01
      2  -0.851537D+00 -0.399036D+01  0.109017D+02 -0.177043D+01  0.883788D+01
      3   0.511055D+01  0.727181D+01 -0.135055D+02  0.439945D+01 -0.296410D+01
      4  -0.248122D+01 -0.205208D+01 -0.400438D+01  0.669438D+01 -0.157094D+02
      5  -0.156314D+01 -0.206265D+01  0.714312D+01 -0.136355D+01  0.680467D+01
      6  -0.306150D+01  0.567374D+00  0.507118D+01  0.128351D+01  0.536049D-01
                21            22            23            24            25 
      1  -0.104879D+01  0.541371D+01 -0.959171D+00 -0.191889D+00 -0.296235D+01
      2  -0.358378D+01 -0.141858D+01 -0.117285D+02 -0.599635D+01  0.791757D+00
      3   0.463257D+01 -0.399513D+01  0.126876D+02  0.618824D+01  0.217060D+01
      4   0.560285D+01 -0.237116D+02  0.199826D+02 -0.267080D+01  0.105847D+02
      5  -0.856978D+01  0.103814D+02 -0.399112D+01  0.668284D+01 -0.200850D+01
      6   0.308286D+01 -0.954813D+00  0.445921D+01 -0.853590D+01  0.922682D+00
                26            27            28            29            30 
      1   0.340137D+01 -0.393333D+01  0.299363D+02  0.400655D+01 -0.482409D+01
      2   0.261672D+01 -0.171232D+01 -0.184838D+02  0.561931D+00  0.755401D+01
      3  -0.601809D+01  0.564565D+01 -0.114525D+02 -0.456848D+01 -0.272992D+01
      4   0.206524D+01  0.265920D+01  0.169385D+02  0.167475D+02 -0.544335D+01
      5   0.184914D+01  0.351358D+01 -0.105817D+02 -0.412826D+01  0.142233D+02
      6   0.359491D+01  0.554984D+01 -0.270352D+01 -0.179443D+01  0.419152D+01
                31            32            33            34            35 
      1  -0.525503D+01  0.659851D+01  0.241417D+01 -0.631615D-01 -0.526318D+00
      2   0.688576D+01  0.703312D+00  0.527385D-01  0.218537D+01  0.583395D+00
      3  -0.163073D+01 -0.730182D+01 -0.246691D+01 -0.212221D+01 -0.570773D-01
      4   0.152954D+02  0.906036D+01 -0.231463D+01 -0.563752D+01 -0.457684D+01
      5  -0.164719D+01 -0.375343D+01  0.155769D+01  0.134028D+02  0.560680D+01
      6  -0.913850D+00 -0.221876D+01  0.784478D+01  0.250703D+01  0.591796D+01
                36            37            38            39            40 
      1   0.499953D+00  0.466259D+02 -0.218230D+01  0.730492D+01 -0.124157D+02
      2  -0.985190D+01 -0.238854D+02  0.127568D+01 -0.386870D+01  0.809030D+01
      3   0.935195D+01 -0.227405D+02  0.906628D+00 -0.343622D+01  0.432539D+01
      4   0.660093D+01  0.222850D+01  0.112094D+02  0.465896D+01  0.663719D+01
      5  -0.141696D+02  0.104829D+02  0.333776D+01  0.553512D+01  0.312044D+01
      6  -0.432632D+01  0.179319D+01  0.592979D+00 -0.846019D+00  0.236421D+01
                41            42            43            44            45 
      1   0.624063D+00  0.232209D+01  0.107060D+02  0.209483D+01 -0.375767D+01
      2   0.414183D+01 -0.665855D+00 -0.739833D+01 -0.483344D+00 -0.155954D+01
      3  -0.476589D+01 -0.165624D+01 -0.330763D+01 -0.161148D+01  0.531721D+01
      4  -0.367299D+01  0.458482D+01  0.632073D+01  0.649197D+01 -0.747097D+01
      5   0.453647D+01 -0.890908D+01  0.109817D+01 -0.707197D+01  0.200035D+02
      6   0.176438D+01  0.137903D+01 -0.176691D+01  0.169035D+01  0.551381D+01
                46            47            48            49            50 
      1   0.845955D+00  0.292505D+01 -0.239136D+01  0.158765D+01 -0.118510D+02
      2  -0.315326D+01 -0.768930D+00  0.253188D+01 -0.135197D+01  0.215603D+02
      3   0.230730D+01 -0.215612D+01 -0.140520D+00 -0.235680D+00 -0.970927D+01
      4   0.123985D+02 -0.264837D+01  0.964601D+00  0.399259D+01 -0.150914D+01
      5  -0.139834D+01 -0.575868D+00  0.574203D+01 -0.429206D+00 -0.139462D+00
      6   0.144371D+01 -0.689131D+00 -0.456317D+01 -0.378652D+01 -0.991355D+01
                51            52            53            54            55 
      1   0.671369D+01 -0.251286D+00  0.862607D+01  0.473404D+01  0.218340D+02
      2  -0.552436D+01  0.190718D+01 -0.808990D+01 -0.835558D+01 -0.748087D+01
      3  -0.118933D+01 -0.165589D+01 -0.536172D+00  0.362153D+01 -0.143531D+02
      4  -0.153098D+01  0.185390D+01  0.114957D+01 -0.169302D+01 -0.238058D+02
      5   0.688390D+00  0.445286D+01  0.482978D+00 -0.876112D+00  0.865837D+01
      6   0.543695D+00 -0.370914D+01 -0.632542D+01 -0.122071D+02 -0.243243D+01
                56            57            58            59            60 
      1  -0.849185D+01  0.270593D+01 -0.925235D+01 -0.935514D+01  0.228258D+01
      2  -0.257226D+01 -0.217988D+01 -0.182950D+01  0.302277D+02 -0.340691D+00
      3   0.110641D+02 -0.526047D+00  0.110818D+02 -0.208726D+02 -0.194189D+01
      4   0.249772D+02 -0.554315D+01  0.294463D+02 -0.436460D+02  0.673314D+01
      5  -0.644132D+01  0.121869D+02 -0.558120D+01  0.898364D+01 -0.123660D+02
      6   0.209034D+01 -0.582532D+01  0.348100D+01 -0.522452D+01  0.134610D+02
                61            62            63            64            65 
      1   0.414817D+01  0.130446D+01 -0.994034D+00  0.699876D+00  0.481145D+00
      2  -0.240363D+01 -0.107533D+01 -0.154797D+01 -0.369066D+01 -0.115529D+01
      3  -0.174453D+01 -0.229131D+00  0.254200D+01  0.299079D+01  0.674141D+00
      4  -0.502421D+01  0.452504D+01 -0.119828D+02  0.118872D+01  0.208075D+01
      5   0.132542D+02 -0.119778D+02  0.928686D+01 -0.245880D+01 -0.149029D+01
      6  -0.591448D+01  0.114320D+02 -0.588946D+01 -0.145857D+01 -0.527729D+00
                66            67            68            69            70 
      1  -0.216644D+00  0.132168D-01 -0.424540D+01  0.381102D+01  0.112140D+01
      2   0.176395D+01 -0.112072D+01 -0.124029D+00  0.235621D+01  0.203769D+01
      3  -0.154730D+01  0.110750D+01  0.436942D+01 -0.616723D+01 -0.315909D+01
      4  -0.945219D+00  0.362113D+01  0.174150D+01 -0.173968D+01 -0.136037D+01
      5   0.665689D+01 -0.187566D+01 -0.169847D+01  0.236604D+01  0.591065D+01
      6   0.556054D+00 -0.138472D+01 -0.483023D+01  0.842333D+01  0.169325D+01
                71            72            73            74            75 
      1   0.277418D+01 -0.155023D+02  0.708673D+00 -0.560531D+00  0.375707D+01
      2   0.437900D+01 -0.156525D+02 -0.340556D+01  0.811887D-01 -0.617561D-01
      3  -0.715318D+01  0.311548D+02  0.269689D+01  0.479342D+00 -0.369532D+01
      4  -0.152807D+01  0.216562D+01 -0.722507D+00  0.390180D+00  0.651233D+00
      5   0.156298D+01 -0.646786D+01  0.647576D+00 -0.431822D+00  0.408778D+01
      6   0.641430D+01 -0.755166D+01  0.580858D-02 -0.831664D+00 -0.700090D+00
                76            77            78            79            80 
      1  -0.241237D+01 -0.412717D+01  0.182611D+01  0.476250D+01 -0.867032D-03
      2   0.126631D+01  0.176382D+01  0.252634D+01 -0.175253D+01  0.181334D+01
      3   0.114606D+01  0.236334D+01 -0.435245D+01 -0.300997D+01 -0.181248D+01
      4  -0.684071D+00 -0.828123D+00  0.230420D+01  0.140664D+01  0.232482D+01
      5  -0.654847D+00  0.183519D+01 -0.311381D+01  0.431994D+01 -0.388903D+00
      6   0.166474D-01 -0.889473D+00  0.371981D+01 -0.159226D+00  0.442020D+01
                81            82            83            84            85 
      1  -0.168486D+02 -0.140630D+01  0.473560D+01  0.265752D+00  0.557562D+01
      2  -0.120334D+02  0.375636D+01 -0.433333D+01  0.780457D-01 -0.421048D+01
      3   0.288820D+02 -0.235006D+01 -0.402274D+00 -0.343797D+00 -0.136514D+01
      4  -0.198390D+01  0.746410D+00  0.368652D+01 -0.118931D-01  0.440818D+01
      5   0.136746D+02 -0.462164D+00  0.730784D+00  0.576071D+00  0.894878D+00
      6   0.517361D+01  0.208021D+00 -0.821208D+00 -0.798700D+00 -0.438594D+00
                86            87            88            89            90 
      1  -0.207461D+02 -0.215712D+01 -0.133708D+01  0.417122D+00 -0.450443D+01
      2   0.329881D+02  0.138015D+01  0.105792D+01 -0.142770D+01  0.259799D+01
      3  -0.122419D+02  0.776972D+00  0.279153D+00  0.101058D+01  0.190644D+01
      4   0.134250D+02  0.780365D+00 -0.633766D+00 -0.125264D+01  0.989508D+00
      5   0.232609D+00  0.160748D+01  0.356335D+00  0.162811D+01  0.630047D+00
      6   0.518170D+01  0.566525D+01 -0.773277D+00  0.534431D+01  0.145947D+00
                91            92            93            94            95 
      1  -0.109286D+02  0.377593D+01  0.107594D+01  0.993035D+01 -0.799120D+01
      2   0.892851D+01 -0.126631D+01 -0.273393D+01 -0.580692D+01  0.960451D+01
      3   0.200007D+01 -0.250962D+01  0.165799D+01 -0.412343D+01 -0.161331D+01
      4  -0.113599D+01 -0.201897D+01  0.178245D+01  0.468545D+01  0.106844D+02
      5   0.285404D+01  0.457232D+00 -0.382964D+01 -0.256999D+01 -0.188738D+01
      6   0.190405D+01  0.109603D+00  0.448094D+00 -0.212430D+01 -0.453205D+01
                96            97            98            99           100 
      1   0.605188D+00  0.874339D+00  0.270165D+01 -0.302830D+01  0.111207D+02
      2  -0.277425D+00 -0.784633D+00 -0.229920D+01  0.113899D+01 -0.956512D+00
      3  -0.327762D+00 -0.897056D-01 -0.402454D+00  0.188932D+01 -0.101642D+02
      4  -0.394403D+01  0.186333D+00 -0.139970D+01  0.156125D+01 -0.194908D+02
      5   0.431566D+01  0.110822D+01  0.161937D+01 -0.899793D+00 -0.784737D+00
      6   0.367767D+01  0.128797D+00  0.359745D+01 -0.390996D+01 -0.138737D+01
               101           102           103           104           105 
      1   0.151641D+01  0.256160D+01 -0.863689D+00  0.714202D+00  0.537462D-01
      2  -0.740527D+01 -0.467053D+00 -0.301870D+01  0.325351D+01 -0.390752D+00
      3   0.588885D+01 -0.209455D+01  0.388238D+01 -0.396771D+01  0.337006D+00
      4   0.131878D+02 -0.165666D+01  0.937503D+01 -0.576611D+01  0.143398D+00
      5   0.595561D+00  0.267070D+01  0.856105D+00 -0.200879D+00 -0.107108D+01
      6  -0.105421D+01 -0.443998D+01 -0.668052D+00  0.378932D+00  0.238646D+01
               106           107           108           109           110 
      1   0.118922D+01  0.721694D-01  0.204449D-01 -0.991084D+00 -0.228615D+01
      2  -0.421967D+00 -0.928385D+00 -0.239573D+00  0.116302D+01  0.184612D+01
      3  -0.767250D+00  0.856215D+00  0.219128D+00 -0.171932D+00  0.440036D+00
      4  -0.423149D+01  0.100708D+01 -0.148002D+01  0.676560D+00  0.372747D+01
      5   0.234252D+01 -0.989209D+00  0.271676D+00  0.619129D+00  0.177481D+01
      6  -0.877350D+00  0.250423D+01 -0.116634D+01  0.250601D+01  0.323306D+01
               111           112           113           114           115 
      1  -0.209497D+01 -0.154479D+01 -0.125057D+02 -0.799805D+01 -0.197890D+01
      2   0.667206D+00  0.118668D+01  0.146338D+02  0.782525D+01  0.690066D+00
      3   0.142777D+01  0.358109D+00 -0.212813D+01  0.172802D+00  0.128883D+01
      4   0.264712D+01  0.402454D+01 -0.176376D+01 -0.744497D+00  0.316845D+01
      5   0.199658D+01  0.101499D+01 -0.115969D+01 -0.198173D+01  0.248470D+01
      6   0.490028D+01  0.523925D+00  0.150522D+02  0.148049D+02  0.244890D+01
               116           117           118           119           120 
      1  -0.123677D+02 -0.131560D+02  0.134959D+02  0.366680D+01 -0.709621D+01
      2   0.103990D+02  0.615142D+01 -0.701876D+01 -0.152014D+01  0.385822D+01
      3   0.196871D+01  0.700462D+01 -0.647718D+01 -0.214665D+01  0.323799D+01
      4  -0.100889D+01  0.284946D+00  0.597187D+01  0.520771D+01 -0.386692D+01
      5  -0.171500D+01 -0.118838D+01 -0.782979D+01 -0.283313D+01  0.100216D+02
      6   0.182747D+02  0.192893D+02 -0.240295D+01 -0.631959D+00  0.167776D+01
               121           122           123           124           125 
      1   0.588225D+01  0.254938D+01 -0.299500D+01 -0.146101D+02 -0.272833D+01
      2  -0.194021D+01  0.817482D-01  0.720688D+00  0.887022D+01  0.116473D+01
      3  -0.394204D+01 -0.263112D+01  0.227432D+01  0.573986D+01  0.156359D+01
      4   0.793017D+01  0.627969D+01 -0.644707D+01 -0.850471D+01 -0.854313D+01
      5  -0.503889D+01 -0.540104D+01  0.839521D+01  0.150531D+02  0.745085D+01
      6  -0.247672D+01 -0.268087D+01  0.458446D+01  0.435133D+01  0.361461D+01
               126 
      1   0.766652D+01
      2  -0.719960D+01
      3  -0.466916D+00
      4   0.913381D+01
      5  -0.231563D+02
      6  -0.667255D+01
 Leave Link  716 at Mon Aug 16 21:26:34 2021, MaxMem=  5637144576 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.654410D+02 -0.175960D+01 -0.211113D+01
      2  -0.175960D+01  0.626677D+02 -0.273828D+01
      3  -0.211113D+01 -0.273828D+01  0.513099D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.272289D+01  0.779502D+00 -0.106872D+01
      2  -0.223323D+01 -0.578109D+01 -0.102092D+02
      3   0.666200D+01 -0.206247D+01  0.376843D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.300818D+02 -0.134994D+02 -0.842078D+01
      2   0.190369D+02  0.102585D+02  0.417492D+01
      3   0.110449D+02  0.324085D+01  0.424586D+01
      4  -0.104984D+02  0.780411D+01 -0.156732D+02
      5  -0.116763D+01 -0.165623D+02 -0.165788D+02
      6  -0.693296D+01  0.971902D+01  0.566537D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.120825D+01 -0.108646D+01 -0.741987D+00 -0.327978D+01 -0.193959D+01
      2  -0.108646D+01 -0.235068D+01 -0.451021D+00 -0.193959D+01  0.473307D+01
      3  -0.741987D+00 -0.451021D+00 -0.209758D+01 -0.637537D+00 -0.260620D+00
                 6             7             8             9            10 
      1  -0.637537D+00 -0.283914D+01 -0.460930D+00 -0.172170D+01  0.404627D+00
      2  -0.260620D+00 -0.460930D+00 -0.105837D+01 -0.132466D+01  0.165764D+01
      3  -0.180099D+01 -0.172170D+01 -0.132466D+01  0.548145D+01  0.171877D+01
                11            12            13            14            15 
      1   0.165764D+01  0.171877D+01  0.280317D+01  0.125360D+01  0.374016D+00
      2   0.148491D+01  0.138342D+00  0.125360D+01 -0.217683D+01 -0.619601D+00
      3   0.138342D+00  0.111277D+01  0.374016D+00 -0.619601D+00  0.231500D+01
                16            17            18            19            20 
      1   0.268997D+01 -0.152516D+00  0.160866D+01  0.872862D+00 -0.755044D-01
      2  -0.152516D+00 -0.271805D+00  0.312002D+01 -0.755044D-01 -0.199863D+01
      3   0.160866D+01  0.312002D+01 -0.550619D+01 -0.106353D+01  0.127111D+01
                21            22            23            24            25 
      1  -0.106353D+01  0.206663D+01 -0.283279D+01  0.130433D+01  0.153398D-01
      2   0.127111D+01 -0.283279D+01  0.441024D+01 -0.721166D+00  0.178236D+01
      3  -0.189071D-01  0.130433D+01 -0.721166D+00  0.130967D+00 -0.295028D+00
                26            27            28            29            30 
      1   0.178236D+01 -0.295028D+00  0.621281D+01  0.100512D+01 -0.210620D+01
      2  -0.671027D+00 -0.430789D+00  0.100512D+01  0.298676D+01 -0.534604D+00
      3  -0.430789D+00  0.638926D+00 -0.210620D+01 -0.534604D+00  0.146591D+01
                31            32            33            34            35 
      1  -0.154426D+01  0.346081D+01  0.393304D+00 -0.170177D+01 -0.900916D+00
      2   0.346081D+01  0.394888D+00 -0.664300D+00 -0.900916D+00 -0.387400D+00
      3   0.393304D+00 -0.664300D+00  0.180910D+00  0.150921D+01  0.136048D+01
                36            37            38            39            40 
      1   0.150921D+01 -0.679977D+01  0.382909D+00 -0.155582D+01  0.245387D+01
      2   0.136048D+01  0.382909D+00 -0.164185D+00 -0.410995D+00 -0.619898D+00
      3  -0.282551D+01 -0.155582D+01 -0.410995D+00  0.942998D+00 -0.614197D+00
                41            42            43            44            45 
      1  -0.619898D+00 -0.614197D+00 -0.289084D+01 -0.680349D+00  0.423545D+00
      2   0.849051D+00 -0.602260D+00 -0.680349D+00 -0.122277D+01  0.127875D+01
      3  -0.602260D+00  0.188934D+01  0.423545D+00  0.127875D+01 -0.376600D+01
                46            47            48            49            50 
      1   0.396581D+01 -0.494180D+00 -0.202975D-01 -0.347928D+00 -0.349195D+00
      2  -0.494180D+00  0.413490D+00 -0.252124D-01 -0.349195D+00  0.306504D+01
      3  -0.202975D-01 -0.252124D-01 -0.101477D+01 -0.417368D+00 -0.123646D+01
                51            52            53            54            55 
      1  -0.417368D+00 -0.757315D-01 -0.372845D+00 -0.109869D+01  0.478262D+01
      2  -0.123646D+01 -0.372845D+00 -0.300152D+01 -0.188161D+01 -0.385127D+01
      3  -0.179369D+01 -0.109869D+01 -0.188161D+01 -0.210377D+01  0.142288D+01
                56            57            58            59            60 
      1  -0.385127D+01  0.142288D+01 -0.518744D+01  0.365388D+01 -0.661095D+00
      2   0.332804D+01 -0.104751D+01  0.365388D+01 -0.107141D+02  0.169416D+01
      3  -0.104751D+01  0.107869D+01 -0.661095D+00  0.169416D+01 -0.235202D+01
                61            62            63            64            65 
      1   0.123200D+01 -0.730456D+00  0.191969D+01 -0.522761D+00 -0.692379D+00
      2  -0.730456D+00  0.120870D+01 -0.284754D+01 -0.692379D+00 -0.561538D+00
      3   0.191969D+01 -0.284754D+01  0.215222D+01  0.103994D+01  0.655523D-01
                66            67            68            69            70 
      1   0.103994D+01 -0.122048D+01 -0.585464D+00  0.190879D+00  0.131134D+01
      2   0.655523D-01 -0.585464D+00 -0.118044D+01  0.158414D+01  0.192805D+00
      3  -0.103992D+01  0.190879D+00  0.158414D+01 -0.194726D+01 -0.838932D+00
                71            72            73            74            75 
      1   0.192805D+00 -0.838932D+00  0.503186D-01  0.350466D+00 -0.881630D+00
      2   0.228840D+01 -0.188522D+01  0.350466D+00  0.327700D+00  0.110580D+00
      3  -0.188522D+01  0.757736D+01 -0.881630D+00  0.110580D+00  0.981969D+00
                76            77            78            79            80 
      1   0.118791D+01  0.364133D+00  0.996424D-01 -0.152849D+01 -0.100461D+00
      2   0.364133D+00  0.161576D+00 -0.933614D+00 -0.100461D+00 -0.126359D+01
      3   0.996424D-01 -0.933614D+00  0.158908D+01  0.161962D+00  0.159488D+00
                81            82            83            84            85 
      1   0.161962D+00  0.695784D+00 -0.956460D+00  0.138907D+00 -0.154417D+01
      2   0.159488D+00 -0.956460D+00  0.953773D+00  0.223545D+00  0.498524D+00
      3  -0.756748D+01  0.138907D+00  0.223545D+00  0.425870D+00  0.601996D-01
                86            87            88            89            90 
      1   0.498524D+00  0.601996D-01  0.847832D+00  0.101026D+00  0.281830D+00
      2  -0.772937D+01 -0.560054D+00  0.101026D+00  0.515201D+00 -0.858885D+00
      3  -0.560054D+00 -0.102286D+01  0.281830D+00 -0.858885D+00 -0.402553D+00
                91            92            93            94            95 
      1  -0.273490D+01  0.168402D+01  0.945589D+00  0.355334D+01 -0.530471D+00
      2   0.168402D+01 -0.126127D+01 -0.732359D-03 -0.530471D+00  0.400327D+01
      3   0.945589D+00 -0.732359D-03 -0.380899D+00 -0.968008D+00 -0.885462D+00
                96            97            98            99           100 
      1  -0.968008D+00  0.119606D+00 -0.129561D+00  0.233564D+00 -0.611117D+01
      2  -0.885462D+00 -0.129561D+00 -0.893118D+00  0.802471D+00  0.196782D+01
      3   0.143957D+01  0.233564D+00  0.802471D+00 -0.138176D+01 -0.648658D+00
               101           102           103           104           105 
      1   0.196782D+01 -0.648658D+00  0.179666D+01 -0.149187D+01 -0.108724D+00
      2  -0.317741D+01 -0.899758D-01 -0.149187D+01  0.129861D+01  0.101915D-01
      3  -0.899758D-01 -0.116216D+01 -0.108724D+00  0.101915D-01  0.505397D+00
               106           107           108           109           110 
      1  -0.155482D+01  0.173293D+00 -0.307391D+00  0.478882D+00  0.694377D+00
      2   0.173293D+00 -0.516696D+00  0.512799D+00  0.694377D+00  0.810349D+00
      3  -0.307391D+00  0.512799D+00 -0.354990D+00  0.460152D+00  0.368761D+00
               111           112           113           114           115 
      1   0.460152D+00  0.793749D+00  0.163762D+00  0.545845D-01  0.896888D+00
      2   0.368761D+00  0.163762D+00  0.393348D+01  0.222442D+01  0.330137D+00
      3   0.129371D+01  0.545845D-01  0.222442D+01  0.265088D+01  0.582973D+00
               116           117           118           119           120 
      1   0.330137D+00  0.582973D+00 -0.250336D+01 -0.586091D+00  0.129188D+01
      2   0.370008D+01  0.324713D+01 -0.586091D+00 -0.791302D+00  0.382159D+00
      3   0.324713D+01  0.384716D+01  0.129188D+01  0.382159D+00 -0.158768D+01
               121           122           123           124           125 
      1  -0.153127D+01 -0.104543D+01  0.929970D+00  0.347781D+01  0.948414D+00
      2  -0.104543D+01 -0.104851D+01  0.970622D+00  0.948414D+00  0.157391D+01
      3   0.929970D+00  0.970622D+00 -0.178431D+01 -0.245971D+01 -0.125243D+01
               126 
      1  -0.245971D+01
      2  -0.125243D+01
      3   0.421115D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.565805D+00  0.109508D+01 -0.104049D+01 -0.907854D+00 -0.554019D+01
      2   0.519820D+00  0.901278D-03  0.121218D+01  0.116874D+01 -0.819123D+00
      3  -0.207139D+01  0.124403D+01  0.584668D+00  0.437127D+01  0.694574D+01
                 6             7             8             9            10 
      1  -0.373911D+01 -0.910902D+00  0.127446D+01  0.563410D+01  0.505934D+00
      2   0.129870D+01 -0.237591D+01  0.287094D+00 -0.634843D+01  0.647458D+01
      3   0.847627D+00  0.121842D+01 -0.289528D+00  0.114789D-01 -0.101086D+01
                11            12            13            14            15 
      1   0.148551D+00 -0.201029D+00 -0.244184D+01 -0.103180D+01  0.150602D+01
      2   0.433120D+00  0.343769D+01 -0.155647D+01 -0.222656D+00 -0.540366D+00
      3  -0.628322D+01 -0.139022D+01 -0.360107D+00 -0.198375D+01  0.191253D+01
                16            17            18            19            20 
      1   0.527436D+00  0.354476D+01  0.233612D+00  0.177418D+01  0.137646D+01
      2  -0.485924D+01  0.302995D+00  0.131399D+01 -0.910582D+01 -0.907605D+00
      3  -0.798921D+00 -0.949886D-01 -0.409434D-01  0.659841D+01  0.159956D+01
                21            22            23            24            25 
      1  -0.282077D+01  0.222277D+01  0.624515D+01  0.490256D+01  0.524034D+00
      2  -0.377141D+01 -0.403377D+01 -0.606779D+00  0.377144D+01 -0.133155D+02
      3   0.307402D+00  0.448986D+01 -0.994792D+01 -0.164456D+01  0.311222D+01
                26            27            28            29            30 
      1   0.633388D+01 -0.677517D+01  0.235480D+01 -0.457726D+01 -0.255657D+01
      2   0.142603D+01  0.485153D+01  0.372960D+01 -0.278398D+01  0.623999D+01
      3  -0.174428D+01 -0.112524D+01  0.678259D+01 -0.129979D+02 -0.418760D+00
                31            32            33            34            35 
      1  -0.440814D+01  0.153400D+01 -0.265558D+01 -0.122032D+01  0.289343D+01
      2  -0.898673D+00  0.900217D+00  0.160275D+00  0.262811D+01  0.151679D+01
      3  -0.845254D+01  0.434562D+01  0.277041D+01 -0.186890D+01  0.146167D+01
                36            37            38            39            40 
      1   0.226304D+01 -0.537706D+00  0.810942D-01 -0.251888D+00  0.145127D+01
      2  -0.604862D+01  0.166935D+01  0.201685D+01  0.296071D+01  0.166327D+01
      3  -0.160821D+01  0.655224D+01 -0.750440D+01 -0.182478D+01  0.173438D+01
                41            42            43            44            45 
      1   0.514082D+00 -0.199720D+01 -0.106594D+01  0.180394D+01 -0.212724D+01
      2   0.153605D+01 -0.522808D+01 -0.692076D+01 -0.371965D+01  0.112855D+02
      3   0.477385D+01 -0.200940D+01 -0.164859D+01 -0.367554D+01  0.391909D+01
                46            47            48            49            50 
      1  -0.136498D+01  0.418463D+00  0.184058D+01  0.112162D+01  0.619182D+01
      2  -0.544956D+00 -0.220707D+00  0.327102D+01  0.334571D-01  0.504965D+00
      3   0.110804D+02 -0.648925D+01  0.110341D+01  0.383219D+01  0.638775D+00
                51            52            53            54            55 
      1  -0.189623D+01  0.144849D+01  0.858543D+01  0.548962D+01 -0.773783D+00
      2   0.763599D+00 -0.331759D+01  0.663952D+00  0.206595D+00  0.133451D+01
      3  -0.122723D+01  0.126240D+01 -0.738830D+00 -0.261044D+01 -0.107042D+01
                56            57            58            59            60 
      1   0.109812D+01  0.422394D+01  0.123757D+00 -0.277644D+01 -0.891047D+01
      2  -0.429671D+00  0.603430D+01  0.386984D+01  0.195622D+01 -0.573502D+01
      3  -0.722858D+01  0.121208D+01  0.517404D+01  0.165580D+02 -0.174385D+01
                61            62            63            64            65 
      1  -0.201849D+00  0.205751D+01  0.234411D+01 -0.110642D+00 -0.611803D+00
      2   0.180970D+01 -0.424960D+01  0.201159D+01  0.406829D-01  0.658468D-01
      3  -0.928721D+00 -0.121615D+01  0.449211D+01 -0.669533D+00 -0.436274D+00
                66            67            68            69            70 
      1  -0.187987D+00  0.204227D+00 -0.118255D+01 -0.575285D+00 -0.268482D+00
      2   0.796337D+00  0.871403D+00  0.138541D+00  0.606540D+00 -0.299433D+01
      3   0.358459D+00  0.200383D+01 -0.136484D+00 -0.696129D-01 -0.837431D+00
                71            72            73            74            75 
      1   0.358532D+01  0.102173D+01 -0.137945D+01 -0.649045D+00  0.435390D+00
      2   0.348122D+00 -0.107157D+01  0.174307D+01  0.244762D+00 -0.680355D+00
      3   0.918058D+00 -0.942284D-01  0.149044D+00 -0.817761D+00  0.601042D+00
                76            77            78            79            80 
      1  -0.413065D+00 -0.115994D+01  0.989498D+00  0.258405D+00  0.355311D+01
      2   0.105899D+01  0.139655D+01 -0.167163D+01 -0.405916D+01 -0.444796D+00
      3   0.350483D+00  0.237373D-01 -0.107025D+01  0.688290D+00 -0.100483D+01
                81            82            83            84            85 
      1  -0.611916D+01  0.132268D+01 -0.301864D+00  0.619477D+00 -0.282045D+00
      2   0.814694D+01  0.350747D+00 -0.505817D+00  0.455252D+00 -0.909368D+00
      3  -0.719433D-01 -0.322122D+01  0.130415D+01 -0.323346D+00  0.537408D+01
                86            87            88            89            90 
      1   0.425185D+01 -0.323342D+01  0.386903D+00 -0.313395D+00  0.151044D+00
      2   0.132773D+01  0.822935D+00 -0.882800D+00  0.771914D+00  0.518381D+00
      3  -0.813883D+01 -0.672837D+00 -0.120596D+01  0.245313D+00 -0.112319D+01
                91            92            93            94            95 
      1  -0.362499D+01  0.385501D+01  0.301379D+00  0.421805D+01 -0.300561D+01
      2  -0.370255D+01  0.263845D+01 -0.167754D+01  0.187345D+01 -0.304681D+01
      3  -0.859659D+01  0.861110D+01  0.133674D+01  0.104627D+02 -0.108762D+02
                96            97            98            99           100 
      1  -0.207755D+01 -0.392905D-01  0.783901D+00  0.125150D+01  0.229627D+01
      2   0.211151D+01 -0.189310D+01  0.176495D+01 -0.137746D+00  0.896071D+00
      3  -0.571234D+00  0.862355D+00  0.292440D-01 -0.730309D+00 -0.135736D+02
               101           102           103           104           105 
      1  -0.904454D+00  0.285566D+01 -0.262227D-01  0.790616D+00 -0.966809D+00
      2  -0.358689D+00  0.211649D+01  0.125534D-01  0.412173D+00 -0.799678D+00
      3  -0.664247D+00 -0.154964D+01  0.202513D+01 -0.215719D+01 -0.603353D+00
               106           107           108           109           110 
      1   0.425590D+00 -0.232840D+00  0.889440D+00 -0.243961D+00 -0.890320D+00
      2  -0.455126D+00 -0.522331D+00  0.335933D+00 -0.388364D+00 -0.101941D+00
      3  -0.359232D+01 -0.426831D-01  0.127334D+00  0.968614D+00  0.715962D+00
               111           112           113           114           115 
      1  -0.276867D+01  0.977214D-01 -0.317461D+01 -0.573180D+01 -0.894056D+00
      2  -0.175928D+00 -0.595507D+00 -0.743703D+00 -0.845963D+00 -0.194693D+01
      3   0.314305D+00  0.278137D+01  0.118712D+01  0.549375D+00  0.220696D+01
               116           117           118           119           120 
      1  -0.391689D+01 -0.740188D+01  0.347461D+00 -0.138036D+00 -0.449025D+00
      2  -0.973520D+00 -0.881537D+00 -0.407221D+01 -0.146080D+01  0.543606D+01
      3   0.146657D+01  0.207197D+01 -0.103787D+01 -0.238719D+01  0.105771D+01
               121           122           123           124           125 
      1   0.952180D-01 -0.287097D+00 -0.126942D+01  0.150238D+00  0.138141D+01
      2  -0.255794D+01 -0.273339D+01  0.528575D+01  0.586264D+01  0.370769D+01
      3  -0.106664D+01 -0.211210D+01  0.247698D+01  0.153020D+01  0.468597D+01
               126 
      1   0.177617D+01
      2  -0.131271D+02
      3  -0.321747D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.192791D+02 -0.232807D+01 -0.238794D+01  0.409684D+01  0.145306D+02
      2   0.900833D+01  0.413864D+01 -0.103264D+01 -0.320890D+00 -0.191164D+02
      3   0.102707D+02 -0.181057D+01  0.342058D+01 -0.377595D+01  0.458586D+01
      4   0.338632D-01 -0.153625D+01  0.935449D+00  0.816131D+01 -0.569734D+01
      5  -0.140957D+01  0.258981D+00 -0.250301D+01  0.161927D+01  0.968656D+00
      6   0.241868D+01  0.228268D+01  0.210073D+01  0.151516D+01 -0.207245D+00
                 6             7             8             9            10 
      1  -0.291590D+00  0.406770D+01 -0.661654D+00  0.119933D+02 -0.277870D+01
      2  -0.241906D+01 -0.252017D+01 -0.836459D+00  0.315573D+01  0.336177D+01
      3   0.271065D+01 -0.154753D+01  0.149811D+01 -0.151491D+02 -0.583078D+00
      4   0.697698D+00  0.435251D+01  0.279763D+01  0.521987D+01 -0.348175D+01
      5   0.302975D+01  0.522912D+01  0.224572D+01 -0.987648D+01  0.915512D+00
      6   0.269052D+01  0.245028D+01  0.162066D+01 -0.175855D+01 -0.117812D+01
                11            12            13            14            15 
      1  -0.173094D+01 -0.426044D+00  0.417345D+00  0.498575D+01 -0.456943D+01
      2   0.345316D+01 -0.111815D+01  0.124277D+01 -0.443283D+01 -0.289793D+01
      3  -0.172222D+01  0.154419D+01 -0.166011D+01 -0.552925D+00  0.746736D+01
      4   0.336622D+01 -0.251374D+01 -0.774070D+01 -0.496330D-01  0.203694D+01
      5  -0.797382D+00  0.251540D+01 -0.900669D-01  0.167489D+01 -0.120137D+01
      6  -0.201195D+01  0.215976D+00  0.273550D+01  0.922019D+00 -0.933513D+01
                16            17            18            19            20 
      1  -0.425901D+01 -0.328145D+01  0.260377D+01 -0.262901D+01 -0.587378D+01
      2  -0.851537D+00 -0.399036D+01  0.109017D+02 -0.177043D+01  0.883788D+01
      3   0.511055D+01  0.727181D+01 -0.135055D+02  0.439945D+01 -0.296410D+01
      4  -0.248122D+01 -0.205208D+01 -0.400438D+01  0.669438D+01 -0.157094D+02
      5  -0.156314D+01 -0.206265D+01  0.714312D+01 -0.136355D+01  0.680467D+01
      6  -0.306150D+01  0.567374D+00  0.507118D+01  0.128351D+01  0.536049D-01
                21            22            23            24            25 
      1  -0.104879D+01  0.541371D+01 -0.959171D+00 -0.191889D+00 -0.296235D+01
      2  -0.358378D+01 -0.141858D+01 -0.117285D+02 -0.599635D+01  0.791757D+00
      3   0.463257D+01 -0.399513D+01  0.126876D+02  0.618824D+01  0.217060D+01
      4   0.560285D+01 -0.237116D+02  0.199826D+02 -0.267080D+01  0.105847D+02
      5  -0.856978D+01  0.103814D+02 -0.399112D+01  0.668284D+01 -0.200850D+01
      6   0.308286D+01 -0.954813D+00  0.445921D+01 -0.853590D+01  0.922682D+00
                26            27            28            29            30 
      1   0.340137D+01 -0.393333D+01  0.299363D+02  0.400655D+01 -0.482409D+01
      2   0.261672D+01 -0.171232D+01 -0.184838D+02  0.561931D+00  0.755401D+01
      3  -0.601809D+01  0.564565D+01 -0.114525D+02 -0.456848D+01 -0.272992D+01
      4   0.206524D+01  0.265920D+01  0.169385D+02  0.167475D+02 -0.544335D+01
      5   0.184914D+01  0.351358D+01 -0.105817D+02 -0.412826D+01  0.142233D+02
      6   0.359491D+01  0.554984D+01 -0.270352D+01 -0.179443D+01  0.419152D+01
                31            32            33            34            35 
      1  -0.525503D+01  0.659851D+01  0.241417D+01 -0.631615D-01 -0.526318D+00
      2   0.688576D+01  0.703312D+00  0.527385D-01  0.218537D+01  0.583395D+00
      3  -0.163073D+01 -0.730182D+01 -0.246691D+01 -0.212221D+01 -0.570773D-01
      4   0.152954D+02  0.906036D+01 -0.231463D+01 -0.563752D+01 -0.457684D+01
      5  -0.164719D+01 -0.375343D+01  0.155769D+01  0.134028D+02  0.560680D+01
      6  -0.913850D+00 -0.221876D+01  0.784478D+01  0.250703D+01  0.591796D+01
                36            37            38            39            40 
      1   0.499953D+00  0.466259D+02 -0.218230D+01  0.730492D+01 -0.124157D+02
      2  -0.985190D+01 -0.238854D+02  0.127568D+01 -0.386870D+01  0.809030D+01
      3   0.935195D+01 -0.227405D+02  0.906628D+00 -0.343622D+01  0.432539D+01
      4   0.660093D+01  0.222850D+01  0.112094D+02  0.465896D+01  0.663719D+01
      5  -0.141696D+02  0.104829D+02  0.333776D+01  0.553512D+01  0.312044D+01
      6  -0.432632D+01  0.179319D+01  0.592979D+00 -0.846019D+00  0.236421D+01
                41            42            43            44            45 
      1   0.624063D+00  0.232209D+01  0.107060D+02  0.209483D+01 -0.375767D+01
      2   0.414183D+01 -0.665855D+00 -0.739833D+01 -0.483344D+00 -0.155954D+01
      3  -0.476589D+01 -0.165624D+01 -0.330763D+01 -0.161148D+01  0.531721D+01
      4  -0.367299D+01  0.458482D+01  0.632073D+01  0.649197D+01 -0.747097D+01
      5   0.453647D+01 -0.890908D+01  0.109817D+01 -0.707197D+01  0.200035D+02
      6   0.176438D+01  0.137903D+01 -0.176691D+01  0.169035D+01  0.551381D+01
                46            47            48            49            50 
      1   0.845955D+00  0.292505D+01 -0.239136D+01  0.158765D+01 -0.118510D+02
      2  -0.315326D+01 -0.768930D+00  0.253188D+01 -0.135197D+01  0.215603D+02
      3   0.230730D+01 -0.215612D+01 -0.140520D+00 -0.235680D+00 -0.970927D+01
      4   0.123985D+02 -0.264837D+01  0.964601D+00  0.399259D+01 -0.150914D+01
      5  -0.139834D+01 -0.575868D+00  0.574203D+01 -0.429206D+00 -0.139462D+00
      6   0.144371D+01 -0.689131D+00 -0.456317D+01 -0.378652D+01 -0.991355D+01
                51            52            53            54            55 
      1   0.671369D+01 -0.251286D+00  0.862607D+01  0.473404D+01  0.218340D+02
      2  -0.552436D+01  0.190718D+01 -0.808990D+01 -0.835558D+01 -0.748087D+01
      3  -0.118933D+01 -0.165589D+01 -0.536172D+00  0.362153D+01 -0.143531D+02
      4  -0.153098D+01  0.185390D+01  0.114957D+01 -0.169302D+01 -0.238058D+02
      5   0.688390D+00  0.445286D+01  0.482978D+00 -0.876112D+00  0.865837D+01
      6   0.543695D+00 -0.370914D+01 -0.632542D+01 -0.122071D+02 -0.243243D+01
                56            57            58            59            60 
      1  -0.849185D+01  0.270593D+01 -0.925235D+01 -0.935514D+01  0.228258D+01
      2  -0.257226D+01 -0.217988D+01 -0.182950D+01  0.302277D+02 -0.340691D+00
      3   0.110641D+02 -0.526047D+00  0.110818D+02 -0.208726D+02 -0.194189D+01
      4   0.249772D+02 -0.554315D+01  0.294463D+02 -0.436460D+02  0.673314D+01
      5  -0.644132D+01  0.121869D+02 -0.558120D+01  0.898364D+01 -0.123660D+02
      6   0.209034D+01 -0.582532D+01  0.348100D+01 -0.522452D+01  0.134610D+02
                61            62            63            64            65 
      1   0.414817D+01  0.130446D+01 -0.994034D+00  0.699876D+00  0.481145D+00
      2  -0.240363D+01 -0.107533D+01 -0.154797D+01 -0.369066D+01 -0.115529D+01
      3  -0.174453D+01 -0.229131D+00  0.254200D+01  0.299079D+01  0.674141D+00
      4  -0.502421D+01  0.452504D+01 -0.119828D+02  0.118872D+01  0.208075D+01
      5   0.132542D+02 -0.119778D+02  0.928686D+01 -0.245880D+01 -0.149029D+01
      6  -0.591448D+01  0.114320D+02 -0.588946D+01 -0.145857D+01 -0.527729D+00
                66            67            68            69            70 
      1  -0.216644D+00  0.132168D-01 -0.424540D+01  0.381102D+01  0.112140D+01
      2   0.176395D+01 -0.112072D+01 -0.124029D+00  0.235621D+01  0.203769D+01
      3  -0.154730D+01  0.110750D+01  0.436942D+01 -0.616723D+01 -0.315909D+01
      4  -0.945219D+00  0.362113D+01  0.174150D+01 -0.173968D+01 -0.136037D+01
      5   0.665689D+01 -0.187566D+01 -0.169847D+01  0.236604D+01  0.591065D+01
      6   0.556054D+00 -0.138472D+01 -0.483023D+01  0.842333D+01  0.169325D+01
                71            72            73            74            75 
      1   0.277418D+01 -0.155023D+02  0.708673D+00 -0.560531D+00  0.375707D+01
      2   0.437900D+01 -0.156525D+02 -0.340556D+01  0.811887D-01 -0.617561D-01
      3  -0.715318D+01  0.311548D+02  0.269689D+01  0.479342D+00 -0.369532D+01
      4  -0.152807D+01  0.216562D+01 -0.722507D+00  0.390180D+00  0.651233D+00
      5   0.156298D+01 -0.646786D+01  0.647576D+00 -0.431822D+00  0.408778D+01
      6   0.641430D+01 -0.755166D+01  0.580858D-02 -0.831664D+00 -0.700090D+00
                76            77            78            79            80 
      1  -0.241237D+01 -0.412717D+01  0.182611D+01  0.476250D+01 -0.867032D-03
      2   0.126631D+01  0.176382D+01  0.252634D+01 -0.175253D+01  0.181334D+01
      3   0.114606D+01  0.236334D+01 -0.435245D+01 -0.300997D+01 -0.181248D+01
      4  -0.684071D+00 -0.828123D+00  0.230420D+01  0.140664D+01  0.232482D+01
      5  -0.654847D+00  0.183519D+01 -0.311381D+01  0.431994D+01 -0.388903D+00
      6   0.166474D-01 -0.889473D+00  0.371981D+01 -0.159226D+00  0.442020D+01
                81            82            83            84            85 
      1  -0.168486D+02 -0.140630D+01  0.473560D+01  0.265752D+00  0.557562D+01
      2  -0.120334D+02  0.375636D+01 -0.433333D+01  0.780457D-01 -0.421048D+01
      3   0.288820D+02 -0.235006D+01 -0.402274D+00 -0.343797D+00 -0.136514D+01
      4  -0.198390D+01  0.746410D+00  0.368652D+01 -0.118931D-01  0.440818D+01
      5   0.136746D+02 -0.462164D+00  0.730784D+00  0.576071D+00  0.894878D+00
      6   0.517361D+01  0.208021D+00 -0.821208D+00 -0.798700D+00 -0.438594D+00
                86            87            88            89            90 
      1  -0.207461D+02 -0.215712D+01 -0.133708D+01  0.417122D+00 -0.450443D+01
      2   0.329881D+02  0.138015D+01  0.105792D+01 -0.142770D+01  0.259799D+01
      3  -0.122419D+02  0.776972D+00  0.279153D+00  0.101058D+01  0.190644D+01
      4   0.134250D+02  0.780365D+00 -0.633766D+00 -0.125264D+01  0.989508D+00
      5   0.232609D+00  0.160748D+01  0.356335D+00  0.162811D+01  0.630047D+00
      6   0.518170D+01  0.566525D+01 -0.773277D+00  0.534431D+01  0.145947D+00
                91            92            93            94            95 
      1  -0.109286D+02  0.377593D+01  0.107594D+01  0.993035D+01 -0.799120D+01
      2   0.892851D+01 -0.126631D+01 -0.273393D+01 -0.580692D+01  0.960451D+01
      3   0.200007D+01 -0.250962D+01  0.165799D+01 -0.412343D+01 -0.161331D+01
      4  -0.113599D+01 -0.201897D+01  0.178245D+01  0.468545D+01  0.106844D+02
      5   0.285404D+01  0.457232D+00 -0.382964D+01 -0.256999D+01 -0.188738D+01
      6   0.190405D+01  0.109603D+00  0.448094D+00 -0.212430D+01 -0.453205D+01
                96            97            98            99           100 
      1   0.605188D+00  0.874339D+00  0.270165D+01 -0.302830D+01  0.111207D+02
      2  -0.277425D+00 -0.784633D+00 -0.229920D+01  0.113899D+01 -0.956512D+00
      3  -0.327762D+00 -0.897056D-01 -0.402454D+00  0.188932D+01 -0.101642D+02
      4  -0.394403D+01  0.186333D+00 -0.139970D+01  0.156125D+01 -0.194908D+02
      5   0.431566D+01  0.110822D+01  0.161937D+01 -0.899793D+00 -0.784737D+00
      6   0.367767D+01  0.128797D+00  0.359745D+01 -0.390996D+01 -0.138737D+01
               101           102           103           104           105 
      1   0.151641D+01  0.256160D+01 -0.863689D+00  0.714202D+00  0.537462D-01
      2  -0.740527D+01 -0.467053D+00 -0.301870D+01  0.325351D+01 -0.390752D+00
      3   0.588885D+01 -0.209455D+01  0.388238D+01 -0.396771D+01  0.337006D+00
      4   0.131878D+02 -0.165666D+01  0.937503D+01 -0.576611D+01  0.143398D+00
      5   0.595561D+00  0.267070D+01  0.856105D+00 -0.200879D+00 -0.107108D+01
      6  -0.105421D+01 -0.443998D+01 -0.668052D+00  0.378932D+00  0.238646D+01
               106           107           108           109           110 
      1   0.118922D+01  0.721694D-01  0.204449D-01 -0.991084D+00 -0.228615D+01
      2  -0.421967D+00 -0.928385D+00 -0.239573D+00  0.116302D+01  0.184612D+01
      3  -0.767250D+00  0.856215D+00  0.219128D+00 -0.171932D+00  0.440036D+00
      4  -0.423149D+01  0.100708D+01 -0.148002D+01  0.676560D+00  0.372747D+01
      5   0.234252D+01 -0.989209D+00  0.271676D+00  0.619129D+00  0.177481D+01
      6  -0.877350D+00  0.250423D+01 -0.116634D+01  0.250601D+01  0.323306D+01
               111           112           113           114           115 
      1  -0.209497D+01 -0.154479D+01 -0.125057D+02 -0.799805D+01 -0.197890D+01
      2   0.667206D+00  0.118668D+01  0.146338D+02  0.782525D+01  0.690066D+00
      3   0.142777D+01  0.358109D+00 -0.212813D+01  0.172802D+00  0.128883D+01
      4   0.264712D+01  0.402454D+01 -0.176376D+01 -0.744497D+00  0.316845D+01
      5   0.199658D+01  0.101499D+01 -0.115969D+01 -0.198173D+01  0.248470D+01
      6   0.490028D+01  0.523925D+00  0.150522D+02  0.148049D+02  0.244890D+01
               116           117           118           119           120 
      1  -0.123677D+02 -0.131560D+02  0.134959D+02  0.366680D+01 -0.709621D+01
      2   0.103990D+02  0.615142D+01 -0.701876D+01 -0.152014D+01  0.385822D+01
      3   0.196871D+01  0.700462D+01 -0.647718D+01 -0.214665D+01  0.323799D+01
      4  -0.100889D+01  0.284946D+00  0.597187D+01  0.520771D+01 -0.386692D+01
      5  -0.171500D+01 -0.118838D+01 -0.782979D+01 -0.283313D+01  0.100216D+02
      6   0.182747D+02  0.192893D+02 -0.240295D+01 -0.631959D+00  0.167776D+01
               121           122           123           124           125 
      1   0.588225D+01  0.254938D+01 -0.299500D+01 -0.146101D+02 -0.272833D+01
      2  -0.194021D+01  0.817482D-01  0.720688D+00  0.887022D+01  0.116473D+01
      3  -0.394204D+01 -0.263112D+01  0.227432D+01  0.573986D+01  0.156359D+01
      4   0.793017D+01  0.627969D+01 -0.644707D+01 -0.850471D+01 -0.854313D+01
      5  -0.503889D+01 -0.540104D+01  0.839521D+01  0.150531D+02  0.745085D+01
      6  -0.247672D+01 -0.268087D+01  0.458446D+01  0.435133D+01  0.361461D+01
               126 
      1   0.766652D+01
      2  -0.719960D+01
      3  -0.466916D+00
      4   0.913381D+01
      5  -0.231563D+02
      6  -0.667255D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.177208D+01      0.450418D+01      0.150243D+02
   x         -0.140490D+01     -0.357091D+01     -0.119113D+02
   y          0.825060D+00      0.209709D+01      0.699515D+01
   z          0.696985D+00      0.177156D+01      0.590928D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.547500D+02      0.811311D+01      0.902705D+01
   aniso      0.138511D+02      0.205252D+01      0.228374D+01
   xx         0.600536D+02      0.889902D+01      0.990150D+01
   yx        -0.174617D+01     -0.258755D+00     -0.287904D+00
   yy         0.574969D+02      0.852016D+01      0.947996D+01
   zx        -0.203351D+01     -0.301335D+00     -0.335280D+00
   zy        -0.255420D+01     -0.378493D+00     -0.421131D+00
   zz         0.466994D+02      0.692014D+01      0.769969D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.598062D+02      0.886236D+01      0.986071D+01
   aniso      0.146062D+02      0.216442D+01      0.240824D+01
   xx         0.654410D+02      0.969735D+01      0.107898D+02
   yx        -0.175960D+01     -0.260747D+00     -0.290120D+00
   yy         0.626677D+02      0.928639D+01      0.103325D+02
   zx        -0.211113D+01     -0.312837D+00     -0.348078D+00
   zy        -0.273828D+01     -0.405772D+00     -0.451482D+00
   zz         0.513099D+02      0.760335D+01      0.845986D+01

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -2.17951951         -1.26322649          0.79520561
     6          0.56296708         -0.32736233          0.73998527
     6          1.28956525          0.12530081         -2.03032785
     8          1.33973685          2.56629304         -2.68368791
     8         -3.05042541         -1.65104598          3.30547719
     7          0.76869236          2.01188673          2.19635093
     8          1.69407911         -1.56755846         -3.48584197
     1          1.78912746         -1.84155660          1.43804261
     1         -3.41206425          0.18252343         -0.00730789
     1         -2.33494878         -2.96740208         -0.35597159
     1          0.97142327          3.50125853         -1.11767282
     1         -0.50562739          2.00724919          3.62736022
     1          2.50918904          2.22141094          2.96242428
     1         -2.30315643         -3.17648985          3.96191848

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.177208D+01      0.450418D+01      0.150243D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.177208D+01      0.450418D+01      0.150243D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.547500D+02      0.811311D+01      0.902705D+01
   aniso      0.138511D+02      0.205252D+01      0.228374D+01
   xx         0.481301D+02      0.713214D+01      0.793558D+01
   yx         0.212314D+01      0.314616D+00      0.350058D+00
   yy         0.570645D+02      0.845609D+01      0.940867D+01
   zx        -0.492878D+01     -0.730370D+00     -0.812646D+00
   zy         0.113677D+01      0.168451D+00      0.187427D+00
   zz         0.590553D+02      0.875110D+01      0.973691D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.598062D+02      0.886236D+01      0.986071D+01
   aniso      0.146062D+02      0.216442D+01      0.240824D+01
   xx         0.528652D+02      0.783381D+01      0.871629D+01
   yx         0.225727D+01      0.334493D+00      0.372173D+00
   yy         0.622869D+02      0.922997D+01      0.102697D+02
   zx        -0.525345D+01     -0.778481D+00     -0.866177D+00
   zy         0.114324D+01      0.169410D+00      0.188494D+00
   zz         0.642665D+02      0.952331D+01      0.105961D+02

 ----------------------------------------------------------------------

 Test job not archived.
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 IF YOU GET CONFUSED, LOGIC OUT YOUR DILEMMA

           --  PICKER X-RAY CORP.    DIGITAL PRINTER MANUAL CA. 1964
 Job cpu time:       0 days  1 hours 10 minutes 40.3 seconds.
 Elapsed time:       0 days  0 hours  8 minutes 52.2 seconds.
 File lengths (MBytes):  RWF=    210 Int=      0 D2E=      0 Chk=      6 Scr=      2
 Normal termination of Gaussian 16 at Mon Aug 16 21:26:34 2021.
